2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid

C15H22N2O4 — CID 61195838

IUPAC2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
SMILESCCCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-9-16(11(2)3)15(21)17(10-14(19)20)12-5-7-13(18)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,19,20)
InChIKeyGUWFSWVWBMITAV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.52
Rot. Bonds6

About 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid

2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid (PubChem CID 61195838) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
PubChem CID61195838
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
SMILESCCCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-9-16(11(2)3)15(21)17(10-14(19)20)12-5-7-13(18)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,19,20)
InChIKeyGUWFSWVWBMITAV-UHFFFAOYSA-N
XLogP2.52
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194384
2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
CID 61235432
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
CID 113226359
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
CID 63860770

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid (CID 61195838) is 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid is CCCN(C(=O)N(CC(=O)O)c1ccc(O)cc1)C(C)C.
What is the InChIKey of 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid?
The InChIKey is GUWFSWVWBMITAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-9-16(11(2)3)15(21)17(10-14(19)20)12-5-7-13(18)8-6-12/h5-8,11,18H,4,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid?
2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid is sourced from PubChem (CID 61195838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).