3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid

C19H35NO2 — CID 175398948

IUPAC3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
SMILESCC1CCCC(C2(NC(C(=O)O)C(C)C)CCCCCC2)C1
InChIInChI=1S/C19H35NO2/c1-14(2)17(18(21)22)20-19(11-6-4-5-7-12-19)16-10-8-9-15(3)13-16/h14-17,20H,4-13H2,1-3H3,(H,21,22)
InChIKeyNVJSTCLVKYJFHS-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.60
Rot. Bonds5

About 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid

3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid (PubChem CID 175398948) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
PubChem CID175398948
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
SMILESCC1CCCC(C2(NC(C(=O)O)C(C)C)CCCCCC2)C1
InChIInChI=1S/C19H35NO2/c1-14(2)17(18(21)22)20-19(11-6-4-5-7-12-19)16-10-8-9-15(3)13-16/h14-17,20H,4-13H2,1-3H3,(H,21,22)
InChIKeyNVJSTCLVKYJFHS-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
CID 103244876
3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
CID 103264847
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264016
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-methyl-3-(3-methylcyclohexyl)oxolane-3-carboxylic acid
CID 114533838
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutanoic acid
CID 64762107
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid (CID 175398948) is 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid is CC1CCCC(C2(NC(C(=O)O)C(C)C)CCCCCC2)C1.
What is the InChIKey of 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid?
The InChIKey is NVJSTCLVKYJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-14(2)17(18(21)22)20-19(11-6-4-5-7-12-19)16-10-8-9-15(3)13-16/h14-17,20H,4-13H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid?
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid has a molecular weight of 309.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid is sourced from PubChem (CID 175398948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).