3-acetamido-3-(2-methylcyclopropyl)propanoic acid

C9H15NO3 — CID 165482378

IUPAC3-acetamido-3-(2-methylcyclopropyl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)C1CC1C
InChIInChI=1S/C9H15NO3/c1-5-3-7(5)8(4-9(12)13)10-6(2)11/h5,7-8H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRSOKNIJCJNPHAH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds4

About 3-acetamido-3-(2-methylcyclopropyl)propanoic acid

3-acetamido-3-(2-methylcyclopropyl)propanoic acid (PubChem CID 165482378) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-acetamido-3-(2-methylcyclopropyl)propanoic acid.

Molecular Properties

Compound Name3-acetamido-3-(2-methylcyclopropyl)propanoic acid
PubChem CID165482378
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-acetamido-3-(2-methylcyclopropyl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)C1CC1C
InChIInChI=1S/C9H15NO3/c1-5-3-7(5)8(4-9(12)13)10-6(2)11/h5,7-8H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRSOKNIJCJNPHAH-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-3-oxobutyl)acetamide
CID 13286853
3-acetamido-4-methylpentanoic acid
CID 22460001
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
3-cyclohexa-2,4-dien-1-yl-3-(methylamino)propanoic acid
CID 145086383
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 64583130
N-(1-cyclobutylpropyl)acetamide
CID 127002620
3-(2-propan-2-ylcyclopropyl)butanoic acid
CID 84653840
N-(1-cyclohexylpropyl)acetamide
CID 45119320
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
3-[(2-methylcyclopropyl)amino]propanoic acid
CID 62398720
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
N-[(1S)-3-methyl-1-[(2R)-oxiran-2-yl]butyl]acetamide
CID 102399129

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-methylcyclopropyl)propanoic acid?
The IUPAC name of 3-acetamido-3-(2-methylcyclopropyl)propanoic acid (CID 165482378) is 3-acetamido-3-(2-methylcyclopropyl)propanoic acid.
What is the SMILES notation for 3-acetamido-3-(2-methylcyclopropyl)propanoic acid?
The canonical SMILES for 3-acetamido-3-(2-methylcyclopropyl)propanoic acid is CC(=O)NC(CC(=O)O)C1CC1C.
What is the InChIKey of 3-acetamido-3-(2-methylcyclopropyl)propanoic acid?
The InChIKey is RSOKNIJCJNPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-3-7(5)8(4-9(12)13)10-6(2)11/h5,7-8H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-acetamido-3-(2-methylcyclopropyl)propanoic acid?
3-acetamido-3-(2-methylcyclopropyl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2-methylcyclopropyl)propanoic acid is sourced from PubChem (CID 165482378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).