(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

C14H18N2O4 — CID 107839602

IUPAC(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19)/t11?,12-/m0/s1
InChIKeyIGNAUKHDKWELFV-KIYNQFGBSA-N
MW278.31 g/mol
LogP0.63
Rot. Bonds4

About (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 107839602) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID107839602
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19)/t11?,12-/m0/s1
InChIKeyIGNAUKHDKWELFV-KIYNQFGBSA-N
XLogP0.63
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
4-oxo-4-[(3-phenylpyrrolidine-1-carbonyl)amino]but-2-enoic acid
CID 76936470
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 107839602) is (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is O=C(O)[C@@H](O)CNC(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is IGNAUKHDKWELFV-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107839602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).