1-(nonanoylamino)cycloheptane-1-carboxylic acid

C17H31NO3 — CID 43172633

IUPAC1-(nonanoylamino)cycloheptane-1-carboxylic acid
SMILESCCCCCCCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C17H31NO3/c1-2-3-4-5-6-9-12-15(19)18-17(16(20)21)13-10-7-8-11-14-17/h2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyGUOQPYRLZSKNAF-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.03
Rot. Bonds9

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

1-(nonanoylamino)cycloheptane-1-carboxylic acid (PubChem CID 43172633) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(nonanoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(nonanoylamino)cycloheptane-1-carboxylic acid
PubChem CID43172633
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(nonanoylamino)cycloheptane-1-carboxylic acid
SMILESCCCCCCCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C17H31NO3/c1-2-3-4-5-6-9-12-15(19)18-17(16(20)21)13-10-7-8-11-14-17/h2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyGUOQPYRLZSKNAF-UHFFFAOYSA-N
XLogP4.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.03
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)cyclohexane-1-carboxylic acid
CID 43350921
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)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(nonanoylamino)cycloheptane-1-carboxylic acid (CID 43172633) is 1-(nonanoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(nonanoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(nonanoylamino)cycloheptane-1-carboxylic acid is CCCCCCCCC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(nonanoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is GUOQPYRLZSKNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-3-4-5-6-9-12-15(19)18-17(16(20)21)13-10-7-8-11-14-17/h2-14H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-(nonanoylamino)cycloheptane-1-carboxylic acid?
1-(nonanoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nonanoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43172633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).