7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid

C15H27NO3 — CID 106826162

IUPAC7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
SMILESCC1(C(=O)NCCCCCCC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(10-6-4-7-11-15)14(19)16-12-8-3-2-5-9-13(17)18/h2-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyXOAZMVDYRPCPNK-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds8

About 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid

7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid (PubChem CID 106826162) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
PubChem CID106826162
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
SMILESCC1(C(=O)NCCCCCCC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(10-6-4-7-11-15)14(19)16-12-8-3-2-5-9-13(17)18/h2-12H2,1H3,(H,16,19)(H,17,18)
InChIKeyXOAZMVDYRPCPNK-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
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

7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
7-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]heptanoic acid
CID 122107729
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
CID 113485787
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid (CID 106826162) is 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid is CC1(C(=O)NCCCCCCC(=O)O)CCCCC1.
What is the InChIKey of 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid?
The InChIKey is XOAZMVDYRPCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(10-6-4-7-11-15)14(19)16-12-8-3-2-5-9-13(17)18/h2-12H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid?
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid is sourced from PubChem (CID 106826162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).