2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid

C8H13NO4 — CID 175279299

IUPAC2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@H]1NC(=O)[C@H]1[C@@H](C)O
InChIInChI=1S/C8H13NO4/c1-3(8(12)13)6-5(4(2)10)7(11)9-6/h3-6,10H,1-2H3,(H,9,11)(H,12,13)/t3?,4-,5+,6-/m1/s1
InChIKeyCONSYUIRCKZJAM-JPCDQAEASA-N
MW187.19 g/mol
LogP-0.80
Rot. Bonds3

About 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid

2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid (PubChem CID 175279299) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
PubChem CID175279299
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@H]1NC(=O)[C@H]1[C@@H](C)O
InChIInChI=1S/C8H13NO4/c1-3(8(12)13)6-5(4(2)10)7(11)9-6/h3-6,10H,1-2H3,(H,9,11)(H,12,13)/t3?,4-,5+,6-/m1/s1
InChIKeyCONSYUIRCKZJAM-JPCDQAEASA-N
XLogP-0.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid?
The IUPAC name of 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid (CID 175279299) is 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid?
The canonical SMILES for 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid is CC(C(=O)O)[C@H]1NC(=O)[C@H]1[C@@H](C)O.
What is the InChIKey of 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid?
The InChIKey is CONSYUIRCKZJAM-JPCDQAEASA-N. The full InChI is InChI=1S/C8H13NO4/c1-3(8(12)13)6-5(4(2)10)7(11)9-6/h3-6,10H,1-2H3,(H,9,11)(H,12,13)/t3?,4-,5+,6-/m1/s1.
What are the key properties of 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid?
2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid is sourced from PubChem (CID 175279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).