(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid

C9H16N2O4 — CID 107825270

IUPAC(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCNC1
InChIInChI=1S/C9H16N2O4/c12-4-2-7(9(14)15)11-8(13)6-1-3-10-5-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyJHTSHMLTSMNYPZ-COBSHVIPSA-N
MW216.24 g/mol
LogP-1.45
Rot. Bonds5

About (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid

(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid (PubChem CID 107825270) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
PubChem CID107825270
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCNC1
InChIInChI=1S/C9H16N2O4/c12-4-2-7(9(14)15)11-8(13)6-1-3-10-5-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyJHTSHMLTSMNYPZ-COBSHVIPSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid (CID 107825270) is (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)C1CCNC1.
What is the InChIKey of (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid?
The InChIKey is JHTSHMLTSMNYPZ-COBSHVIPSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-4-2-7(9(14)15)11-8(13)6-1-3-10-5-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid?
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 107825270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).