2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid

C15H20N2O4 — CID 63860770

IUPAC2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O4/c1-10-7-11(10)8-16(2)15(21)17(9-14(19)20)12-3-5-13(18)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyLYNQEYIUVYIKJU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid

2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid (PubChem CID 63860770) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
PubChem CID63860770
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O4/c1-10-7-11(10)8-16(2)15(21)17(9-14(19)20)12-3-5-13(18)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyLYNQEYIUVYIKJU-UHFFFAOYSA-N
XLogP1.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-N-(4-hydroxyphenyl)glycine
CID 11063673
4-Dipentylcarbamoyl-1-[(4-hydroxy-phenyl)-phenyl-carbamoyl]-piperazine-2-carboxylic acid
CID 44303852
Acetanilide, 2-(diethylamino)-4'-hydroxy-N-methyl-
CID 19229
3-[(Aminocarbonyl)-2-hydroxyanilino]-2-methylpropanoic acid
CID 3622596
N-carbamoyl-p-hydroxyphenylglycine
CID 18704516
2-[N-(deuteriocarbamoyl)-4-hydroxyanilino]acetic acid
CID 129689739
2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 22753548
2-(N-acetyl-3-fluoro-4-hydroxyanilino)acetic acid
CID 68228102
2-(3-fluoro-4-hydroxy-N-methylanilino)acetic acid
CID 68228390
2-(N-acetyl-3-fluoro-4-hydroxyanilino)butanoic acid
CID 68527073
Ethyl 2-[(3-fluoro-4-hydroxyphenyl)carbamoylamino]-4-methylpentanoate
CID 69011156
2-[(3-Fluoro-4-hydroxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 142875131

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid (CID 63860770) is 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid is CC1CC1CN(C)C(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid?
The InChIKey is LYNQEYIUVYIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-7-11(10)8-16(2)15(21)17(9-14(19)20)12-3-5-13(18)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid?
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid is sourced from PubChem (CID 63860770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).