1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid

C14H26N2O4 — CID 81089146

IUPAC1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
SMILESCOCCCC(N)C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O4/c1-20-10-6-7-11(15)12(17)16-14(13(18)19)8-4-2-3-5-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeySUJJPWLTICEUIQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.03
Rot. Bonds7

About 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid

1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 81089146) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID81089146
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
SMILESCOCCCC(N)C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O4/c1-20-10-6-7-11(15)12(17)16-14(13(18)19)8-4-2-3-5-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)
InChIKeySUJJPWLTICEUIQ-UHFFFAOYSA-N
XLogP1.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
CID 103966706
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-[(2-amino-3-methoxypropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 81088836
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61160800
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid (CID 81089146) is 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid is COCCCC(N)C(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is SUJJPWLTICEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-20-10-6-7-11(15)12(17)16-14(13(18)19)8-4-2-3-5-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid?
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 81089146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).