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

C11H20N2O3 — CID 64583130

IUPAC2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
SMILESCC(=O)NC(CN(C)CC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-4-9(7)5-13(3)6-10(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyLASMKBSQDJGNNA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.16
Rot. Bonds6

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

2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid (PubChem CID 64583130) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
PubChem CID64583130
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
SMILESCC(=O)NC(CN(C)CC1CC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-4-9(7)5-13(3)6-10(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyLASMKBSQDJGNNA-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid (CID 64583130) is 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid is CC(=O)NC(CN(C)CC1CC1C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid?
The InChIKey is LASMKBSQDJGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-4-9(7)5-13(3)6-10(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid?
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid is sourced from PubChem (CID 64583130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).