2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid

C12H22N2O3 — CID 54948646

IUPAC2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(N(C)C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-10(7-9)14(3)12(17)13(2)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQRYRVTTUBZAPKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds3

About 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid

2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 54948646) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID54948646
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(N(C)C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9-5-4-6-10(7-9)14(3)12(17)13(2)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyQRYRVTTUBZAPKL-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid (CID 54948646) is 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid is CC1CCCC(N(C)C(=O)N(C)CC(=O)O)C1.
What is the InChIKey of 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is QRYRVTTUBZAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-4-6-10(7-9)14(3)12(17)13(2)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid?
2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl-(3-methylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54948646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).