1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C16H28N2O3 — CID 82758308

IUPAC1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C2(C)CCCC2N)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-11-6-9-16(10-7-11,14(20)21)18-13(19)15(2)8-4-5-12(15)17/h11-12H,3-10,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNVFRZKHCXQIITF-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.04
Rot. Bonds4

About 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 82758308) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID82758308
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C2(C)CCCC2N)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-11-6-9-16(10-7-11,14(20)21)18-13(19)15(2)8-4-5-12(15)17/h11-12H,3-10,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNVFRZKHCXQIITF-UHFFFAOYSA-N
XLogP2.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 82758308) is 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)C2(C)CCCC2N)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is NVFRZKHCXQIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-11-6-9-16(10-7-11,14(20)21)18-13(19)15(2)8-4-5-12(15)17/h11-12H,3-10,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82758308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).