cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 106322683

IUPACcis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1C(N)CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-9-13(17)7-6-12(16(9,2)3)14(19)18-11-5-4-10(8-11)15(20)21/h9-13H,4-8,17H2,1-3H3,(H,18,19)(H,20,21)/t9?,10-,11+,12?,13?/m1/s1
InChIKeyLAFXZDIVFRBXPL-UDICCXNWSA-N
MW296.41 g/mol
LogP1.76
Rot. Bonds3

About cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322683) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322683
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namecis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1C(N)CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-9-13(17)7-6-12(16(9,2)3)14(19)18-11-5-4-10(8-11)15(20)21/h9-13H,4-8,17H2,1-3H3,(H,18,19)(H,20,21)/t9?,10-,11+,12?,13?/m1/s1
InChIKeyLAFXZDIVFRBXPL-UDICCXNWSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
3-[(2,2-dimethylcyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 107175654
4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629042
4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629043
4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 102629031
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307661
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629325
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 106322683) is cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is CC1C(N)CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LAFXZDIVFRBXPL-UDICCXNWSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-9-13(17)7-6-12(16(9,2)3)14(19)18-11-5-4-10(8-11)15(20)21/h9-13H,4-8,17H2,1-3H3,(H,18,19)(H,20,21)/t9?,10-,11+,12?,13?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).