6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid

C14H25NO3 — CID 99849397

IUPAC6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
SMILESC[C@@H]1CCC[C@@H](C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-11-6-5-7-12(10-11)14(18)15-9-4-2-3-8-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)/t11-,12-/m1/s1
InChIKeyTZXZZMPDNBOMOZ-VXGBXAGGSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds7

About 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid

6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 99849397) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
PubChem CID99849397
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
SMILESC[C@@H]1CCC[C@@H](C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-11-6-5-7-12(10-11)14(18)15-9-4-2-3-8-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)/t11-,12-/m1/s1
InChIKeyTZXZZMPDNBOMOZ-VXGBXAGGSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
5-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pentanoic acid
CID 97234393
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid (CID 99849397) is 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid is C[C@@H]1CCC[C@@H](C(=O)NCCCCCC(=O)O)C1.
What is the InChIKey of 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is TZXZZMPDNBOMOZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-6-5-7-12(10-11)14(18)15-9-4-2-3-8-13(16)17/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid?
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 99849397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).