2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid

C14H18N2O3 — CID 103870867

IUPAC2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)[C@H]1CCCN1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(13(18)19,10-6-3-2-4-7-10)16-12(17)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,16,17)(H,18,19)/t11-,14?/m1/s1
InChIKeyDBKMGABWUOKVCR-YNODCEANSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds4

About 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid

2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 103870867) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID103870867
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)[C@H]1CCCN1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(13(18)19,10-6-3-2-4-7-10)16-12(17)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,16,17)(H,18,19)/t11-,14?/m1/s1
InChIKeyDBKMGABWUOKVCR-YNODCEANSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849
N-(1-hydroxy-2-phenylpropan-2-yl)piperidine-2-carboxamide
CID 105058124
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175398
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
(2R)-N-(3-hydroxy-2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 104901499
(2R)-N-[(2R)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
CID 25171258
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
(2S)-N-[1-(3-aminopropylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 90665025
N'-benzylpyrrolidine-2-carbohydrazide
CID 130007921
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 103870867) is 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is CC(NC(=O)[C@H]1CCCN1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is DBKMGABWUOKVCR-YNODCEANSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(13(18)19,10-6-3-2-4-7-10)16-12(17)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3,(H,16,17)(H,18,19)/t11-,14?/m1/s1.
What are the key properties of 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 103870867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).