tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C22H48N6O12 — CID 23551207

IUPACtris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2.C5H9NO2.C5H11NO2.3C2H5NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;3*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);3*1,3H2,(H,4,5)/t5-;2*4-;;;/m000.../s1
InChIKeyDMWBGQGJTYZTCI-BLFUPGTNSA-N
MW588.66 g/mol
LogP-2.59
Rot. Bonds9

About tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 23551207) has the molecular formula C22H48N6O12 and a molecular weight of 588.66 g/mol. Its IUPAC name is tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nametris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID23551207
Molecular FormulaC22H48N6O12
Molecular Weight588.66 g/mol
Exact Mass588.33
IUPAC Nametris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2.C5H9NO2.C5H11NO2.3C2H5NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;3*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);3*1,3H2,(H,4,5)/t5-;2*4-;;;/m000.../s1
InChIKeyDMWBGQGJTYZTCI-BLFUPGTNSA-N
XLogP-2.59
TPSA365.93 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 5-2.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23531806
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551194
tetrakis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 23551203
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 23551207) is tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is DMWBGQGJTYZTCI-BLFUPGTNSA-N. The full InChI is InChI=1S/C6H13NO2.C5H9NO2.C5H11NO2.3C2H5NO2/c1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;3*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);3*1,3H2,(H,4,5)/t5-;2*4-;;;/m000.../s1.
What are the key properties of tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 588.66 g/mol, XLogP of -2.59, 9 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23551207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).