2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid

C10H17NO4 — CID 123603521

IUPAC2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid
SMILESCOC1CCC(C(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(10(13)14)11-9(12)7-3-4-8(5-7)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyUFOUMPOMZFUTCW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds4

About 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid

2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid (PubChem CID 123603521) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid
PubChem CID123603521
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid
SMILESCOC1CCC(C(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(10(13)14)11-9(12)7-3-4-8(5-7)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyUFOUMPOMZFUTCW-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid (CID 123603521) is 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid is COC1CCC(C(=O)NC(C)C(=O)O)C1.
What is the InChIKey of 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is UFOUMPOMZFUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(10(13)14)11-9(12)7-3-4-8(5-7)15-2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid?
2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 123603521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).