5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid

C15H28N2O3 — CID 82848247

IUPAC5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
SMILESCC1CCCC(N(C)C(=O)NC(C)CCCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJNVKXIUSVPBWMM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid

5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848247) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
PubChem CID82848247
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
SMILESCC1CCCC(N(C)C(=O)NC(C)CCCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJNVKXIUSVPBWMM-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
4-hydroxy-N-methyl-N-(3-methylcyclohexyl)pentanamide
CID 79192365
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 82848088
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid (CID 82848247) is 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid is CC1CCCC(N(C)C(=O)NC(C)CCCC(=O)O)C1.
What is the InChIKey of 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
The InChIKey is JNVKXIUSVPBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid?
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).