(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid

C13H18N2O4 — CID 113363047

IUPAC(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
SMILESCOc1ccccc1CCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)15-13(18)14-8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1
InChIKeySQRKQJOUHFFBMM-SECBINFHSA-N
MW266.30 g/mol
LogP1.01
Rot. Bonds6

About (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid

(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid (PubChem CID 113363047) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
PubChem CID113363047
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
SMILESCOc1ccccc1CCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(12(16)17)15-13(18)14-8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1
InChIKeySQRKQJOUHFFBMM-SECBINFHSA-N
XLogP1.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 78778978
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid (CID 113363047) is (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid is COc1ccccc1CCNC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid?
The InChIKey is SQRKQJOUHFFBMM-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(16)17)15-13(18)14-8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid?
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 113363047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).