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

C13H24N2O3 — CID 79203111

IUPAC2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNCC(C)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(7-14-2)12(16)15-8-10-5-3-4-6-11(10)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMNDOPJYUDPSSM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.85
Rot. Bonds6

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

2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79203111) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79203111
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNCC(C)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(7-14-2)12(16)15-8-10-5-3-4-6-11(10)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMNDOPJYUDPSSM-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 164549432
CID 164549432
N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 164549534
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1S,2R)-2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108755781
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193520
trans-(1S,2R)-2-[(3-chloropropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108755885

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79203111) is 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is CNCC(C)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZMNDOPJYUDPSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(7-14-2)12(16)15-8-10-5-3-4-6-11(10)13(17)18/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).