(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid

C19H21ClN2O4 — CID 119367488

IUPAC(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(Cl)cc1NCCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H21ClN2O4/c1-26-17-8-7-14(20)12-15(17)21-10-9-18(23)22-16(19(24)25)11-13-5-3-2-4-6-13/h2-8,12,16,21H,9-11H2,1H3,(H,22,23)(H,24,25)/t16-/m1/s1
InChIKeyGXAYSBYGEJEYIX-MRXNPFEDSA-N
MW376.84 g/mol
LogP2.96
Rot. Bonds9

About (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid

(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid (PubChem CID 119367488) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
PubChem CID119367488
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(Cl)cc1NCCC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H21ClN2O4/c1-26-17-8-7-14(20)12-15(17)21-10-9-18(23)22-16(19(24)25)11-13-5-3-2-4-6-13/h2-8,12,16,21H,9-11H2,1H3,(H,22,23)(H,24,25)/t16-/m1/s1
InChIKeyGXAYSBYGEJEYIX-MRXNPFEDSA-N
XLogP2.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate
CID 60599259
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(5-chloro-2-methoxyanilino)-N-[(1S)-1-cyanopropyl]propanamide
CID 95286071
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid (CID 119367488) is (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid is COc1ccc(Cl)cc1NCCC(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid?
The InChIKey is GXAYSBYGEJEYIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-26-17-8-7-14(20)12-15(17)21-10-9-18(23)22-16(19(24)25)11-13-5-3-2-4-6-13/h2-8,12,16,21H,9-11H2,1H3,(H,22,23)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid?
(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid has a molecular weight of 376.84 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).