2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid

C14H18N2O3 — CID 104901121

IUPAC2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CNC(=O)[C@H]1CCCN1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-4-8-15-12)16-9-11(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyTWWRLGCGRCQSJQ-PIJUOVFKSA-N
MW262.31 g/mol
LogP0.72
Rot. Bonds5

About 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid

2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 104901121) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID104901121
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(CNC(=O)[C@H]1CCCN1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-4-8-15-12)16-9-11(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyTWWRLGCGRCQSJQ-PIJUOVFKSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-(2,3-diphenylpropyl)piperidine-2-carboxamide
CID 119335224
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 104901121) is 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is O=C(O)C(CNC(=O)[C@H]1CCCN1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is TWWRLGCGRCQSJQ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(12-7-4-8-15-12)16-9-11(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104901121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).