2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid

C16H30N2O3 — CID 83209774

IUPAC2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(C)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(7-6-8-12(2)17)14(19)18-13-9-4-5-10-16(13,3)15(20)21/h11-13H,4-10,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCPEZAPZQODXYPD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.29
Rot. Bonds7

About 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83209774) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83209774
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC(N)CCCC(C)C(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(7-6-8-12(2)17)14(19)18-13-9-4-5-10-16(13,3)15(20)21/h11-13H,4-10,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCPEZAPZQODXYPD-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83209774) is 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC(N)CCCC(C)C(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is CPEZAPZQODXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(7-6-8-12(2)17)14(19)18-13-9-4-5-10-16(13,3)15(20)21/h11-13H,4-10,17H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83209774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).