(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid

C6H10N2O3 — CID 11435079

IUPAC(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyIXLHWWDVVDPLAJ-IMJSIDKUSA-N
MW158.16 g/mol
LogP-1.37
Rot. Bonds2

About (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid

(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid (PubChem CID 11435079) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
PubChem CID11435079
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyIXLHWWDVVDPLAJ-IMJSIDKUSA-N
XLogP-1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 67918001
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321650
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 167012852
(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
CID 164518962
(2R)-2-[(3aS,6aS)-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propanoic acid
CID 129494398
4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 67918002
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
[(1S)-1-(3-amino-2-oxopyrrolidin-1-yl)ethyl]boronic acid
CID 11229050
2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 79180820
(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]propanoic acid
CID 129498259
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid (CID 11435079) is (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid is C[C@@H](C(=O)O)N1C[C@H](N)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
The InChIKey is IXLHWWDVVDPLAJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3(6(10)11)8-2-4(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid?
(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid has a molecular weight of 158.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid is sourced from PubChem (CID 11435079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).