6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid

C15H28N2O3 — CID 65286189

IUPAC6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O3/c1-10(15(19)20)5-3-6-11(2)17-14(18)12-7-4-8-13(16)9-12/h10-13H,3-9,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJMGGSCQFQRORO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds7

About 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid

6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid (PubChem CID 65286189) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
PubChem CID65286189
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O3/c1-10(15(19)20)5-3-6-11(2)17-14(18)12-7-4-8-13(16)9-12/h10-13H,3-9,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJMGGSCQFQRORO-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
2-[(3-aminocyclohexanecarbonyl)amino]-5-methoxypentanoic acid
CID 81078641
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
CID 115739612
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
CID 107835514

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid (CID 65286189) is 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid?
The InChIKey is WJMGGSCQFQRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(15(19)20)5-3-6-11(2)17-14(18)12-7-4-8-13(16)9-12/h10-13H,3-9,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid?
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).