5-(cyclobutylmethylcarbamoylamino)hexanoic acid

C12H22N2O3 — CID 82846581

IUPAC5-(cyclobutylmethylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC1CCC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-7-11(15)16)14-12(17)13-8-10-5-3-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyCFNFKWUVPBRWHV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds7

About 5-(cyclobutylmethylcarbamoylamino)hexanoic acid

5-(cyclobutylmethylcarbamoylamino)hexanoic acid (PubChem CID 82846581) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(cyclobutylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(cyclobutylmethylcarbamoylamino)hexanoic acid
PubChem CID82846581
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(cyclobutylmethylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC1CCC1
InChIInChI=1S/C12H22N2O3/c1-9(4-2-7-11(15)16)14-12(17)13-8-10-5-3-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyCFNFKWUVPBRWHV-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid
CID 82845189
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(cyclobutylmethylcarbamoylamino)hexanoic acid (CID 82846581) is 5-(cyclobutylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(cyclobutylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(cyclobutylmethylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NCC1CCC1.
What is the InChIKey of 5-(cyclobutylmethylcarbamoylamino)hexanoic acid?
The InChIKey is CFNFKWUVPBRWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(4-2-7-11(15)16)14-12(17)13-8-10-5-3-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(cyclobutylmethylcarbamoylamino)hexanoic acid?
5-(cyclobutylmethylcarbamoylamino)hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82846581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).