2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid

C12H15NO4 — CID 95452896

IUPAC2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
SMILESCCc1ccc(COC(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)8-17-12(16)13-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyDJXIPORVAZTZHQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.56
Rot. Bonds5

About 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid

2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid (PubChem CID 95452896) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
PubChem CID95452896
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
SMILESCCc1ccc(COC(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)8-17-12(16)13-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyDJXIPORVAZTZHQ-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
2-[(4-acetyloxyphenyl)methoxycarbonylamino]acetic acid
CID 86217606
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 60596157
3-[3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]propanoic acid
CID 142193214
(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
CID 159970394
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
2-[(4-acetyloxy-3-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 123520978
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid?
The IUPAC name of 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid (CID 95452896) is 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid is CCc1ccc(COC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid?
The InChIKey is DJXIPORVAZTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-9-3-5-10(6-4-9)8-17-12(16)13-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid?
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid is sourced from PubChem (CID 95452896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).