(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid

C12H22N2O5 — CID 114005601

IUPAC(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC1CCCO
InChIInChI=1S/C12H22N2O5/c15-7-2-4-9-3-1-6-14(9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t9?,10-/m1/s1
InChIKeyYGCRPYZMPJYZOP-QVDQXJPCSA-N
MW274.32 g/mol
LogP-0.23
Rot. Bonds7

About (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid (PubChem CID 114005601) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
PubChem CID114005601
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)[C@@H](CCO)NC(=O)N1CCCC1CCCO
InChIInChI=1S/C12H22N2O5/c15-7-2-4-9-3-1-6-14(9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t9?,10-/m1/s1
InChIKeyYGCRPYZMPJYZOP-QVDQXJPCSA-N
XLogP-0.23
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 62478870
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
(2S,3R)-3-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966198
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 62478332
(2R)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757005
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid (CID 114005601) is (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid is O=C(O)[C@@H](CCO)NC(=O)N1CCCC1CCCO.
What is the InChIKey of (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The InChIKey is YGCRPYZMPJYZOP-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H22N2O5/c15-7-2-4-9-3-1-6-14(9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114005601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).