3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid

C15H20N2O3 — CID 115340644

IUPAC3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)NCC2CCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-6-11-4-7-13(8-5-11)17-15(20)16-10-12-2-1-3-12/h4-5,7-8,12H,1-3,6,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeySFNNHZRHSURASD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds6

About 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid

3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid (PubChem CID 115340644) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
PubChem CID115340644
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)NCC2CCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-6-11-4-7-13(8-5-11)17-15(20)16-10-12-2-1-3-12/h4-5,7-8,12H,1-3,6,9-10H2,(H,18,19)(H2,16,17,20)
InChIKeySFNNHZRHSURASD-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(4-sulfanylphenyl)-3-[[3-[[(4-sulfanylphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43834026
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
3-[4-[[2-(thian-4-yl)acetyl]amino]phenyl]propanoic acid
CID 83136913
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid (CID 115340644) is 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)NCC2CCC2)cc1.
What is the InChIKey of 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is SFNNHZRHSURASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)9-6-11-4-7-13(8-5-11)17-15(20)16-10-12-2-1-3-12/h4-5,7-8,12H,1-3,6,9-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid?
3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 115340644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).