2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid

C8H13NO3 — CID 115013829

IUPAC2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
SMILESCC(C)N1C(=O)CC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(2)9-6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRCLXFIDASDQWDQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds3

About 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid

2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid (PubChem CID 115013829) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
PubChem CID115013829
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
SMILESCC(C)N1C(=O)CC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-5(2)9-6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRCLXFIDASDQWDQ-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid?
The IUPAC name of 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid (CID 115013829) is 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid is CC(C)N1C(=O)CC1CC(=O)O.
What is the InChIKey of 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid?
The InChIKey is RCLXFIDASDQWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)9-6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid?
2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid is sourced from PubChem (CID 115013829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).