(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid

C15H20N2O4 — CID 70177088

IUPAC(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CN[C@H](C(=O)O)C1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-13(7-6-10-4-2-1-3-5-10)14(19)17-11-8-12(15(20)21)16-9-11/h1-5,11-13,16,18H,6-9H2,(H,17,19)(H,20,21)/t11?,12-,13+/m0/s1
InChIKeyAECXCIBMMWOJOX-LWNNLKQOSA-N
MW292.33 g/mol
LogP-0.09
Rot. Bonds6

About (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid

(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid (PubChem CID 70177088) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
PubChem CID70177088
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CN[C@H](C(=O)O)C1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-13(7-6-10-4-2-1-3-5-10)14(19)17-11-8-12(15(20)21)16-9-11/h1-5,11-13,16,18H,6-9H2,(H,17,19)(H,20,21)/t11?,12-,13+/m0/s1
InChIKeyAECXCIBMMWOJOX-LWNNLKQOSA-N
XLogP-0.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[(2S,4S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carbonyl]-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid
CID 70290974
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177018
1-[4-[(2-aminoacetyl)amino]pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenylbutanoyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 22458737
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871
benzyl 4-(3-methylbutanoylamino)pyrrolidine-2-carboxylate
CID 153335145
(2S,4S)-4-[[2-(4-benzyl-1-oxophthalazin-2-yl)acetyl]amino]pyrrolidine-2-carboxylic acid
CID 119073265
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341589

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid (CID 70177088) is (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid is O=C(NC1CN[C@H](C(=O)O)C1)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid?
The InChIKey is AECXCIBMMWOJOX-LWNNLKQOSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(7-6-10-4-2-1-3-5-10)14(19)17-11-8-12(15(20)21)16-9-11/h1-5,11-13,16,18H,6-9H2,(H,17,19)(H,20,21)/t11?,12-,13+/m0/s1.
What are the key properties of (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid?
(2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70177088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).