1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid

C9H13NO3 — CID 83876182

IUPAC1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C1NCCCC1C1(C(=O)O)CC1
InChIInChI=1S/C9H13NO3/c11-7-6(2-1-5-10-7)9(3-4-9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyJURIECNZLUCSST-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds2

About 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid

1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 83876182) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID83876182
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C1NCCCC1C1(C(=O)O)CC1
InChIInChI=1S/C9H13NO3/c11-7-6(2-1-5-10-7)9(3-4-9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyJURIECNZLUCSST-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-oxopiperidin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 115000498
4-amino-3-methyl-2-oxoazepane-4-carboxylic acid
CID 75152669
acetic acid;3-aminopiperidin-2-one
CID 139269691
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
CID 62093083
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid (CID 83876182) is 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid is O=C1NCCCC1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is JURIECNZLUCSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-6(2-1-5-10-7)9(3-4-9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid?
1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83876182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).