4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid

C8H14N2O3 — CID 67918002

IUPAC4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(CC(=O)O)CN1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-5(2-7(11)12)3-10-4-6(9)8(10)13/h5-6H,2-4,9H2,1H3,(H,11,12)/t5?,6-/m0/s1
InChIKeyDETPBXJWCVZZJQ-GDVGLLTNSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds4

About 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid

4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (PubChem CID 67918002) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
PubChem CID67918002
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
SMILESCC(CC(=O)O)CN1C[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-5(2-7(11)12)3-10-4-6(9)8(10)13/h5-6H,2-4,9H2,1H3,(H,11,12)/t5?,6-/m0/s1
InChIKeyDETPBXJWCVZZJQ-GDVGLLTNSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-Amino-1-(1-carboxy-2-methylpropyl)-2-azetidinone
CID 53857268
2-[1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid
CID 79812140
2-[1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]propanoic acid
CID 113551712
(3S)-3-amino-4-[2-carboxyethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 18655390
4-[[2-[2-Methylpropyl(propan-2-yl)amino]acetyl]amino]butanoic acid
CID 23588256
2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 57165924
4-[[(2S)-2-amino-3-methylbutanoyl]amino]butanoic acid
CID 61158403
4-[(2-Amino-3-methylbutanoyl)amino]butanoic acid
CID 61158777
3-Amino-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 64894369
3-Amino-4-(3-methylbutylamino)-4-oxobutanoic acid
CID 64894677
3-Amino-4-[bis(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64894890
(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylpentanoic acid
CID 67675825

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid (CID 67918002) is 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is CC(CC(=O)O)CN1C[C@H](N)C1=O.
What is the InChIKey of 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
The InChIKey is DETPBXJWCVZZJQ-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2-7(11)12)3-10-4-6(9)8(10)13/h5-6H,2-4,9H2,1H3,(H,11,12)/t5?,6-/m0/s1.
What are the key properties of 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid?
4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 67918002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).