2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid

C10H17N3O4 — CID 103103337

IUPAC2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC(N)=O)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-2-12(6-8(11)14)10(17)13-4-7(5-13)3-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDQUCYBBBMXGGEQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds5

About 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 103103337) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID103103337
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC(N)=O)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-2-12(6-8(11)14)10(17)13-4-7(5-13)3-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDQUCYBBBMXGGEQ-UHFFFAOYSA-N
XLogP-0.68
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid (CID 103103337) is 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid is CCN(CC(N)=O)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is DQUCYBBBMXGGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-12(6-8(11)14)10(17)13-4-7(5-13)3-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 103103337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).