2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid

C23H22N2O4 — CID 174410898

IUPAC2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid
SMILESNC(C(=O)OCc1ccccc1)c1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O4/c24-20(23(28)29-15-16-8-3-1-4-9-16)18-12-7-13-19(14-18)25-21(22(26)27)17-10-5-2-6-11-17/h1-14,20-21,25H,15,24H2,(H,26,27)
InChIKeyLNCHVUJBJZYDNO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds8

About 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid

2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid (PubChem CID 174410898) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid
PubChem CID174410898
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid
SMILESNC(C(=O)OCc1ccccc1)c1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O4/c24-20(23(28)29-15-16-8-3-1-4-9-16)18-12-7-13-19(14-18)25-21(22(26)27)17-10-5-2-6-11-17/h1-14,20-21,25H,15,24H2,(H,26,27)
InChIKeyLNCHVUJBJZYDNO-UHFFFAOYSA-N
XLogP3.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
benzyl (2S)-2-amino-2-(3-nitrophenyl)acetate
CID 141214961
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
2-[amino(anilino)methyl]-3-oxo-3-phenylmethoxypropanoic acid
CID 174383732
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 2-(methoxyamino)-2-phenylacetate
CID 139697903
methyl 2-[3-(azidomethyl)anilino]-2-phenylacetate
CID 86757685
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid?
The IUPAC name of 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid (CID 174410898) is 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid?
The canonical SMILES for 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid is NC(C(=O)OCc1ccccc1)c1cccc(NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid?
The InChIKey is LNCHVUJBJZYDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c24-20(23(28)29-15-16-8-3-1-4-9-16)18-12-7-13-19(14-18)25-21(22(26)27)17-10-5-2-6-11-17/h1-14,20-21,25H,15,24H2,(H,26,27).
What are the key properties of 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid?
2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid has a molecular weight of 390.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid is sourced from PubChem (CID 174410898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).