tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

C19H40N6O13 — CID 70541638

IUPACtris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CC(O)CN1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO3.C5H9NO2.C3H7NO2.3C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6;3*3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5)/t3?,4-;4-;2-;;;/m000.../s1
InChIKeyZBIDWUDPKJQJAL-LSNRCBMASA-N
MW560.56 g/mol
LogP-4.88
Rot. Bonds6

About tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 70541638) has the molecular formula C19H40N6O13 and a molecular weight of 560.56 g/mol. Its IUPAC name is tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nametris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID70541638
Molecular FormulaC19H40N6O13
Molecular Weight560.56 g/mol
Exact Mass560.27
IUPAC Nametris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CC(O)CN1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO3.C5H9NO2.C3H7NO2.3C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6;3*3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5)/t3?,4-;4-;2-;;;/m000.../s1
InChIKeyZBIDWUDPKJQJAL-LSNRCBMASA-N
XLogP-4.88
TPSA372.17 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500560.56
LogP ≤ 5-4.88
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

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Related Compounds

2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66938353
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
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
CID 67175874
CID 67175874
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
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 175565285
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551194

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 70541638) is tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)[C@@H]1CC(O)CN1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is ZBIDWUDPKJQJAL-LSNRCBMASA-N. The full InChI is InChI=1S/C5H9NO3.C5H9NO2.C3H7NO2.3C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6;3*3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5)/t3?,4-;4-;2-;;;/m000.../s1.
What are the key properties of tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 560.56 g/mol, XLogP of -4.88, 6 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70541638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).