2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid

C14H18N2O4 — CID 61194308

IUPAC2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
SMILESCCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-2-15(10-3-4-10)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,18,19)
InChIKeyJQEFXMASHHJWKE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.89
Rot. Bonds5

About 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid

2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid (PubChem CID 61194308) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
PubChem CID61194308
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
SMILESCCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-2-15(10-3-4-10)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,18,19)
InChIKeyJQEFXMASHHJWKE-UHFFFAOYSA-N
XLogP1.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194384
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
CID 63860770
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
CID 61195838
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
CID 61235432
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
CID 60831127
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
CID 61206742
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951

Frequently Asked Questions

What is the IUPAC name of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid (CID 61194308) is 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid is CCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C1CC1.
What is the InChIKey of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The InChIKey is JQEFXMASHHJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-15(10-3-4-10)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid?
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 61194308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).