1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 81162628

IUPAC1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)NC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-12(11-7-4-3-5-8-11)16-14(20)17-15(13(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJIUVXXDBINIJNK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81162628) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81162628
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)NC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-12(11-7-4-3-5-8-11)16-14(20)17-15(13(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJIUVXXDBINIJNK-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308
1-[1-(3-bromophenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162890
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164696
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
(2S,3S)-3-methyl-2-(1-phenylpropylcarbamoylamino)pentanoic acid
CID 62304220
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81162628) is 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid is CCC(NC(=O)NC1(C(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is JIUVXXDBINIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-12(11-7-4-3-5-8-11)16-14(20)17-15(13(18)19)9-6-10-15/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).