(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid

C19H21NO5 — CID 119367699

IUPAC(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
SMILESCOc1ccc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1
InChIKeyKWFKRQACTRZYLA-GOSISDBHSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds8

About (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid

(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid (PubChem CID 119367699) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
PubChem CID119367699
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
SMILESCOc1ccc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1
InChIKeyKWFKRQACTRZYLA-GOSISDBHSA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
CID 56810885
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid (CID 119367699) is (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid is COc1ccc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc1OC.
What is the InChIKey of (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The InChIKey is KWFKRQACTRZYLA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-15-10-8-13(12-16(15)25-2)9-11-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-8,10,12,18H,9,11H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).