2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid

C14H26N2O3 — CID 55004093

IUPAC2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC1CCCCC1N(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15(4)12-8-6-5-7-11(12)3/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyGPDIMQDARLBGOS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds4

About 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 55004093) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID55004093
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC1CCCCC1N(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15(4)12-8-6-5-7-11(12)3/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyGPDIMQDARLBGOS-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 55004093) is 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid is CC1CCCCC1N(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is GPDIMQDARLBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15(4)12-8-6-5-7-11(12)3/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-methylcyclohexyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 55004093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).