1-(nonanoylamino)cyclohexane-1-carboxylic acid

C16H29NO3 — CID 43350921

IUPAC1-(nonanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCCCCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-8-11-14(18)17-16(15(19)20)12-9-7-10-13-16/h2-13H2,1H3,(H,17,18)(H,19,20)
InChIKeyQXUNJWGJPCIBFA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.64
Rot. Bonds9

About 1-(nonanoylamino)cyclohexane-1-carboxylic acid

1-(nonanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43350921) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(nonanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(nonanoylamino)cyclohexane-1-carboxylic acid
PubChem CID43350921
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(nonanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCCCCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-8-11-14(18)17-16(15(19)20)12-9-7-10-13-16/h2-13H2,1H3,(H,17,18)(H,19,20)
InChIKeyQXUNJWGJPCIBFA-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617

Frequently Asked Questions

What is the IUPAC name of 1-(nonanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(nonanoylamino)cyclohexane-1-carboxylic acid (CID 43350921) is 1-(nonanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(nonanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(nonanoylamino)cyclohexane-1-carboxylic acid is CCCCCCCCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(nonanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QXUNJWGJPCIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-8-11-14(18)17-16(15(19)20)12-9-7-10-13-16/h2-13H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-(nonanoylamino)cyclohexane-1-carboxylic acid?
1-(nonanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43350921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).