[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate

C9H16N2O4 — CID 118488825

IUPAC[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate
SMILESCC(=O)O[C@H](CO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O4/c1-6(13)15-8(5-12)11-9(14)7-3-2-4-10-7/h7-8,10,12H,2-5H2,1H3,(H,11,14)/t7-,8+/m0/s1
InChIKeyZNXZNEUGLUMJME-JGVFFNPUSA-N
MW216.24 g/mol
LogP-1.26
Rot. Bonds4

About [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate

[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate (PubChem CID 118488825) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate
PubChem CID118488825
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate
SMILESCC(=O)O[C@H](CO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O4/c1-6(13)15-8(5-12)11-9(14)7-3-2-4-10-7/h7-8,10,12H,2-5H2,1H3,(H,11,14)/t7-,8+/m0/s1
InChIKeyZNXZNEUGLUMJME-JGVFFNPUSA-N
XLogP-1.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 143102734
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119330672
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate?
The IUPAC name of [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate (CID 118488825) is [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate.
What is the SMILES notation for [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate?
The canonical SMILES for [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate is CC(=O)O[C@H](CO)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate?
The InChIKey is ZNXZNEUGLUMJME-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(13)15-8(5-12)11-9(14)7-3-2-4-10-7/h7-8,10,12H,2-5H2,1H3,(H,11,14)/t7-,8+/m0/s1.
What are the key properties of [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate?
[(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate has a molecular weight of 216.24 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-hydroxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl] acetate is sourced from PubChem (CID 118488825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).