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

C8H13N3O4 — CID 64618398

IUPAC2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESNC(=O)CNC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13N3O4/c9-6(12)2-10-8(15)11-3-5(4-11)1-7(13)14/h5H,1-4H2,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyGXTJUXHZPSEPLB-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.41
Rot. Bonds4

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

2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618398) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618398
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESNC(=O)CNC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13N3O4/c9-6(12)2-10-8(15)11-3-5(4-11)1-7(13)14/h5H,1-4H2,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyGXTJUXHZPSEPLB-UHFFFAOYSA-N
XLogP-1.41
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425
2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 106097982
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616867
2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114101498
2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
CID 130879135
2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619007
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-[2-(4-fluorophenyl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617413
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616011

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64618398) is 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid is NC(=O)CNC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is GXTJUXHZPSEPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-6(12)2-10-8(15)11-3-5(4-11)1-7(13)14/h5H,1-4H2,(H2,9,12)(H,10,15)(H,13,14).
What are the key properties of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).