3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid

C12H21NO3 — CID 107175280

IUPAC3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCCC1C
InChIInChI=1S/C12H21NO3/c1-3-13(8-7-11(14)15)12(16)10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyVXTVUXSQBGDQCE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds5

About 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid

3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 107175280) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID107175280
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCCC1C
InChIInChI=1S/C12H21NO3/c1-3-13(8-7-11(14)15)12(16)10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyVXTVUXSQBGDQCE-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid (CID 107175280) is 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CCCC1C.
What is the InChIKey of 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is VXTVUXSQBGDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-13(8-7-11(14)15)12(16)10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107175280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).