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

C11H20N2O4 — CID 71251216

IUPACmethyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O
InChIInChI=1S/C11H20N2O4/c1-7(14)9(6-10(15)17-2)13-11(16)8-4-3-5-12-8/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t7-,8+,9-/m1/s1
InChIKeyHYMVDZVKSMPBBS-HRDYMLBCSA-N
MW244.29 g/mol
LogP-0.83
Rot. Bonds5

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

methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate (PubChem CID 71251216) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
PubChem CID71251216
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O
InChIInChI=1S/C11H20N2O4/c1-7(14)9(6-10(15)17-2)13-11(16)8-4-3-5-12-8/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t7-,8+,9-/m1/s1
InChIKeyHYMVDZVKSMPBBS-HRDYMLBCSA-N
XLogP-0.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
CID 104965322
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate (CID 71251216) is methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate is COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O.
What is the InChIKey of methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The InChIKey is HYMVDZVKSMPBBS-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)9(6-10(15)17-2)13-11(16)8-4-3-5-12-8/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t7-,8+,9-/m1/s1.
What are the key properties of methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate has a molecular weight of 244.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 71251216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).