1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid

C16H27NO3 — CID 81361691

IUPAC1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CCCC1CCCCC1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H27NO3/c18-14(9-4-8-13-6-2-1-3-7-13)17-12-16(15(19)20)10-5-11-16/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyHYEACJBXOJGVJS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds7

About 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81361691) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID81361691
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CCCC1CCCCC1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H27NO3/c18-14(9-4-8-13-6-2-1-3-7-13)17-12-16(15(19)20)10-5-11-16/h13H,1-12H2,(H,17,18)(H,19,20)
InChIKeyHYEACJBXOJGVJS-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539
4-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]butanamide
CID 115272161
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
CID 65120285
1-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369655
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 81361691) is 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid is O=C(CCCC1CCCCC1)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HYEACJBXOJGVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-14(9-4-8-13-6-2-1-3-7-13)17-12-16(15(19)20)10-5-11-16/h13H,1-12H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81361691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).