2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid

C15H24N2O4 — CID 120975723

IUPAC2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O4/c18-13(17-9-3-1-2-4-10-17)7-8-16-14(19)11-5-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyVKJWBTDSZBCMMD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds5

About 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975723) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975723
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O4/c18-13(17-9-3-1-2-4-10-17)7-8-16-14(19)11-5-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyVKJWBTDSZBCMMD-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
CID 43355894
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 43354240
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
(2S,4S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629082
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975723) is 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCCC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is VKJWBTDSZBCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13(17-9-3-1-2-4-10-17)7-8-16-14(19)11-5-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21).
What are the key properties of 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).