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

C8H14N2O3 — CID 67918001

IUPAC(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6+/m0/s1
InChIKeyGUABTXNRYMWIEO-NTSWFWBYSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds3

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

(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (PubChem CID 67918001) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
PubChem CID67918001
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6+/m0/s1
InChIKeyGUABTXNRYMWIEO-NTSWFWBYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
CID 11435079
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750
(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
CID 164518962
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
(2R)-2-[(3S)-3-(N-acetylanilino)-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 18598687
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168704266
(2R,3S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168698683
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 79267295
(2R)-3-methyl-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)butanoic acid
CID 1178579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (CID 67918001) is (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is CC(C)[C@H](C(=O)O)N1C[C@H](N)C1=O.
What is the InChIKey of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The InChIKey is GUABTXNRYMWIEO-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4(2)6(8(12)13)10-3-5(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,12,13)/t5-,6+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 67918001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).