2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid

C8H12N2O5 — CID 90299465

IUPAC2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
SMILESCC(=O)N1CC(C(NC(=O)O)C(=O)O)C1
InChIInChI=1S/C8H12N2O5/c1-4(11)10-2-5(3-10)6(7(12)13)9-8(14)15/h5-6,9H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyOJHHPPHQCLPRBY-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.81
Rot. Bonds3

About 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid

2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid (PubChem CID 90299465) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid.

Molecular Properties

Compound Name2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
PubChem CID90299465
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
SMILESCC(=O)N1CC(C(NC(=O)O)C(=O)O)C1
InChIInChI=1S/C8H12N2O5/c1-4(11)10-2-5(3-10)6(7(12)13)9-8(14)15/h5-6,9H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyOJHHPPHQCLPRBY-UHFFFAOYSA-N
XLogP-0.81
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
CID 90299426
methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 169194354
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
methyl 2-(1-acetylazetidin-3-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 90299544
2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde
CID 144669065
1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 115006765
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone
CID 175786723
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid?
The IUPAC name of 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid (CID 90299465) is 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid.
What is the SMILES notation for 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid?
The canonical SMILES for 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid is CC(=O)N1CC(C(NC(=O)O)C(=O)O)C1.
What is the InChIKey of 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid?
The InChIKey is OJHHPPHQCLPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-4(11)10-2-5(3-10)6(7(12)13)9-8(14)15/h5-6,9H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid?
2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid has a molecular weight of 216.19 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid is sourced from PubChem (CID 90299465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).