(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid

C8H11NO5 — CID 10512265

IUPAC(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1CC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO5/c1-4(8(13)14)5-2-6(10)9(5)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5+/m1/s1
InChIKeyYNWZIUZENQWXMQ-UHNVWZDZSA-N
MW201.18 g/mol
LogP-0.61
Rot. Bonds4

About (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid

(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid (PubChem CID 10512265) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
PubChem CID10512265
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1CC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO5/c1-4(8(13)14)5-2-6(10)9(5)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5+/m1/s1
InChIKeyYNWZIUZENQWXMQ-UHNVWZDZSA-N
XLogP-0.61
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
CID 45082281
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
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2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
CID 115013829
2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
CID 59945978
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
2-[3,4,6-tris(carboxymethyl)-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-1-yl]acetic acid
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2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
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(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid (CID 10512265) is (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid is C[C@@H](C(=O)O)[C@@H]1CC(=O)N1CC(=O)O.
What is the InChIKey of (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid?
The InChIKey is YNWZIUZENQWXMQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H11NO5/c1-4(8(13)14)5-2-6(10)9(5)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5+/m1/s1.
What are the key properties of (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid?
(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid is sourced from PubChem (CID 10512265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).