(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid

C12H15NO4 — CID 67681844

IUPAC(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
SMILESCCN(C(=O)OC)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-13(12(16)17-2)10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyNNTFNOFQLGHEEZ-SNVBAGLBSA-N
MW237.26 g/mol
LogP1.90
Rot. Bonds4

About (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid

(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid (PubChem CID 67681844) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
PubChem CID67681844
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
SMILESCCN(C(=O)OC)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-13(12(16)17-2)10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyNNTFNOFQLGHEEZ-SNVBAGLBSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 104985036
2-(3-cyclopropylphenyl)-2-[ethyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103740479
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-(4-bromo-3-methylphenyl)-2-[ethyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103714181
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272
3-[carboxy-[carboxy(phenyl)methyl]amino]propanoic acid
CID 126650108
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-(4-bromo-3-methylphenyl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103714182
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
methyl 3-[benzyl(methoxycarbonyl)amino]-3-phenylpropanoate
CID 44668557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid (CID 67681844) is (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid is CCN(C(=O)OC)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid?
The InChIKey is NNTFNOFQLGHEEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13(12(16)17-2)10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid?
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 67681844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).