(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid

C9H16N2O4 — CID 104965322

IUPAC(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6?,7+/m1/s1
InChIKeyGVUVRRPYYDHHGK-UYMSWOSGSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds4

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

(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid (PubChem CID 104965322) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
PubChem CID104965322
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6?,7+/m1/s1
InChIKeyGVUVRRPYYDHHGK-UYMSWOSGSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
3-hydroxy-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoic acid
CID 18223703
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
(2S,3R)-3-hydroxy-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]butanoic acid
CID 145457438
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
CID 145457589
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoic acid
CID 145457584
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid (CID 104965322) is (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid is C[C@@H](O)[C@H](NC(=O)C1CCCN1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
The InChIKey is GVUVRRPYYDHHGK-UYMSWOSGSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6?,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 104965322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).