2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid

C11H20N2O3 — CID 64555060

IUPAC2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8-4-3-5-11(12,6-8)10(16)13(2)7-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyPHPVCAMHFGWMTP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds3

About 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid

2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid (PubChem CID 64555060) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
PubChem CID64555060
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
SMILESCC1CCCC(N)(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8-4-3-5-11(12,6-8)10(16)13(2)7-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyPHPVCAMHFGWMTP-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylcyclohexanecarbonyl)-cyclopropylamino]acetic acid
CID 64552528
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 64554226
1-amino-N,3-dimethyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 64549415
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64551045

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid (CID 64555060) is 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid is CC1CCCC(N)(C(=O)N(C)CC(=O)O)C1.
What is the InChIKey of 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid?
The InChIKey is PHPVCAMHFGWMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-4-3-5-11(12,6-8)10(16)13(2)7-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid?
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid is sourced from PubChem (CID 64555060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).