3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

C12H22N2O3 — CID 63044575

IUPAC3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(C)(C)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,13-3)11(17)14-9-6-4-5-8(7-9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKNDPNZVDWLCLBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds4

About 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63044575) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63044575
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(C)(C)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,13-3)11(17)14-9-6-4-5-8(7-9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKNDPNZVDWLCLBH-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 146109351
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120675022
cis-(1S,3R)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 7073973
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
N-(4-hydroxycyclohexyl)-2-methyl-2-(methylamino)propanamide
CID 62836727
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 63042024
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 63044575) is 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is CNC(C)(C)C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KNDPNZVDWLCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,13-3)11(17)14-9-6-4-5-8(7-9)10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).