2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid

C12H15NO4 — CID 54901352

IUPAC2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H15NO4/c1-3-13(7-11(15)16)12(17)9-6-8(2)4-5-10(9)14/h4-6,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyNDKHATCGQFBDPF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.25
Rot. Bonds4

About 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid

2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid (PubChem CID 54901352) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
PubChem CID54901352
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H15NO4/c1-3-13(7-11(15)16)12(17)9-6-8(2)4-5-10(9)14/h4-6,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyNDKHATCGQFBDPF-UHFFFAOYSA-N
XLogP1.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 112817412
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid (CID 54901352) is 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid?
The InChIKey is NDKHATCGQFBDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13(7-11(15)16)12(17)9-6-8(2)4-5-10(9)14/h4-6,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid?
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 54901352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).