methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate

C10H18N2O4 — CID 71251227

IUPACmethyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
SMILESCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H18N2O4/c1-16-9(14)5-7(6-13)12-10(15)8-3-2-4-11-8/h7-8,11,13H,2-6H2,1H3,(H,12,15)/t7-,8+/m1/s1
InChIKeyQZZMKKSQKKKLKV-SFYZADRCSA-N
MW230.26 g/mol
LogP-1.22
Rot. Bonds5

About methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate

methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate (PubChem CID 71251227) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
PubChem CID71251227
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
SMILESCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H18N2O4/c1-16-9(14)5-7(6-13)12-10(15)8-3-2-4-11-8/h7-8,11,13H,2-6H2,1H3,(H,12,15)/t7-,8+/m1/s1
InChIKeyQZZMKKSQKKKLKV-SFYZADRCSA-N
XLogP-1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 71251216
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate
CID 118488825
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate?
The IUPAC name of methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate (CID 71251227) is methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate.
What is the SMILES notation for methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate?
The canonical SMILES for methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate is COC(=O)C[C@H](CO)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate?
The InChIKey is QZZMKKSQKKKLKV-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-9(14)5-7(6-13)12-10(15)8-3-2-4-11-8/h7-8,11,13H,2-6H2,1H3,(H,12,15)/t7-,8+/m1/s1.
What are the key properties of methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate?
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate has a molecular weight of 230.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 71251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).