(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid

C20H23NO6 — CID 119367644

IUPAC(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
SMILESCOc1cc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-25-15-11-13(12-16(26-2)19(15)27-3)9-10-17(22)21-18(20(23)24)14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyLBRJEWXCYCDZGP-GOSISDBHSA-N
MW373.41 g/mol
LogP2.59
Rot. Bonds9

About (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid

(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid (PubChem CID 119367644) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
PubChem CID119367644
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
SMILESCOc1cc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-25-15-11-13(12-16(26-2)19(15)27-3)9-10-17(22)21-18(20(23)24)14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyLBRJEWXCYCDZGP-GOSISDBHSA-N
XLogP2.59
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid (CID 119367644) is (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid is COc1cc(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid?
The InChIKey is LBRJEWXCYCDZGP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO6/c1-25-15-11-13(12-16(26-2)19(15)27-3)9-10-17(22)21-18(20(23)24)14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,22)(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid?
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 119367644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).