4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid

C14H18N2O3 — CID 61187931

IUPAC4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
SMILESO=C(O)CCCN(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-4-10-16(12-5-2-1-3-6-12)14(19)15-11-8-9-11/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,17,18)
InChIKeyZPHSYXXTVXRLPL-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.23
Rot. Bonds6

About 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid

4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid (PubChem CID 61187931) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
PubChem CID61187931
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
SMILESO=C(O)CCCN(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-4-10-16(12-5-2-1-3-6-12)14(19)15-11-8-9-11/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,17,18)
InChIKeyZPHSYXXTVXRLPL-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
CID 61159538
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568

Frequently Asked Questions

What is the IUPAC name of 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid (CID 61187931) is 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid is O=C(O)CCCN(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid?
The InChIKey is ZPHSYXXTVXRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)7-4-10-16(12-5-2-1-3-6-12)14(19)15-11-8-9-11/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,17,18).
What are the key properties of 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid?
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 61187931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).