2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid

C12H19NO3 — CID 61344571

IUPAC2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1CCCCCC1=O
InChIInChI=1S/C12H19NO3/c1-12(11(15)16,9-6-7-9)13-8-4-2-3-5-10(13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyYWTIFHKUZDCTPY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds3

About 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid

2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid (PubChem CID 61344571) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
PubChem CID61344571
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1CCCCCC1=O
InChIInChI=1S/C12H19NO3/c1-12(11(15)16,9-6-7-9)13-8-4-2-3-5-10(13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyYWTIFHKUZDCTPY-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylpyrrolidin-2-one;ethane
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid (CID 61344571) is 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid is CC(C(=O)O)(C1CC1)N1CCCCCC1=O.
What is the InChIKey of 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid?
The InChIKey is YWTIFHKUZDCTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(11(15)16,9-6-7-9)13-8-4-2-3-5-10(13)14/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid?
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid is sourced from PubChem (CID 61344571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).