2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid

C12H22N2O3 — CID 122012432

IUPAC2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCC1(C)CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)8-14(3)11(17)13-7-6-12(2)4-5-12/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyIESMAVSMXKGQNQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 122012432) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid
PubChem CID122012432
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCC1(C)CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)8-14(3)11(17)13-7-6-12(2)4-5-12/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyIESMAVSMXKGQNQ-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid (CID 122012432) is 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCCC1(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is IESMAVSMXKGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)16)8-14(3)11(17)13-7-6-12(2)4-5-12/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122012432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).