2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid

C9H16N2O4 — CID 64610380

IUPAC2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)8(9(14)15)11-7(13)2-6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyRDRWFTPJSNFTDS-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.45
Rot. Bonds5

About 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid

2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 64610380) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID64610380
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5(12)8(9(14)15)11-7(13)2-6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyRDRWFTPJSNFTDS-UHFFFAOYSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
CID 64611012
2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
CID 115739602
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 80540037
2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
CID 81392554
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid (CID 64610380) is 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)CC1CNC1)C(=O)O.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is RDRWFTPJSNFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5(12)8(9(14)15)11-7(13)2-6-3-10-4-6/h5-6,8,10,12H,2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 64610380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).