2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 103930463

IUPAC2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(15)11(17)16-9-7-5-6-8-14(9,4)12(18)19/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19)/t9?,10-,14?/m0/s1
InChIKeyUIHNLDIRAYXTFZ-XIRUVYRFSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds3

About 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 103930463) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID103930463
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(15)11(17)16-9-7-5-6-8-14(9,4)12(18)19/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19)/t9?,10-,14?/m0/s1
InChIKeyUIHNLDIRAYXTFZ-XIRUVYRFSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213560
2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209774
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid (CID 103930463) is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is UIHNLDIRAYXTFZ-XIRUVYRFSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)10(15)11(17)16-9-7-5-6-8-14(9,4)12(18)19/h9-10H,5-8,15H2,1-4H3,(H,16,17)(H,18,19)/t9?,10-,14?/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid?
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103930463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).