2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid

C10H16N2O3 — CID 81168509

IUPAC2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid
SMILESNC1(C(=O)N2CC(CC(=O)O)C2)CCC1
InChIInChI=1S/C10H16N2O3/c11-10(2-1-3-10)9(15)12-5-7(6-12)4-8(13)14/h7H,1-6,11H2,(H,13,14)
InChIKeyCNHKDGKTMVXESW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.20
Rot. Bonds3

About 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid

2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid (PubChem CID 81168509) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid
PubChem CID81168509
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid
SMILESNC1(C(=O)N2CC(CC(=O)O)C2)CCC1
InChIInChI=1S/C10H16N2O3/c11-10(2-1-3-10)9(15)12-5-7(6-12)4-8(13)14/h7H,1-6,11H2,(H,13,14)
InChIKeyCNHKDGKTMVXESW-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid (CID 81168509) is 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid is NC1(C(=O)N2CC(CC(=O)O)C2)CCC1.
What is the InChIKey of 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid?
The InChIKey is CNHKDGKTMVXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-10(2-1-3-10)9(15)12-5-7(6-12)4-8(13)14/h7H,1-6,11H2,(H,13,14).
What are the key properties of 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclobutanecarbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 81168509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).