2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid

C23H46N6O18 — CID 174419175

IUPAC2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(O)C(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CO)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO4.C5H9NO2.C4H7NO4.C4H9NO3.C3H7NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)/t;4-;;;;/m.0..../s1
InChIKeySAASMJKGQKVQFC-HRHCZSIPSA-N
MW694.64 g/mol
LogP-5.84
Rot. Bonds13

About 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 174419175) has the molecular formula C23H46N6O18 and a molecular weight of 694.64 g/mol. Its IUPAC name is 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID174419175
Molecular FormulaC23H46N6O18
Molecular Weight694.64 g/mol
Exact Mass694.29
IUPAC Name2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(O)C(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CO)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO4.C5H9NO2.C4H7NO4.C4H9NO3.C3H7NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)/t;4-;;;;/m.0..../s1
InChIKeySAASMJKGQKVQFC-HRHCZSIPSA-N
XLogP-5.84
TPSA480.99 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.64
LogP ≤ 5-5.84
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Analyze 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174852664
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174461355
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2,4-diamino-4-oxobutanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 175277305
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20751279
2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173130795
2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173130654
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 174419175) is 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(O)C(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CO)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is SAASMJKGQKVQFC-HRHCZSIPSA-N. The full InChI is InChI=1S/C5H9NO4.C5H9NO2.C4H7NO4.C4H9NO3.C3H7NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)/t;4-;;;;/m.0..../s1.
What are the key properties of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 694.64 g/mol, XLogP of -5.84, 13 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174419175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).