(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid

C9H19NO3 — CID 54446615

IUPAC(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
SMILESCC(C)[C@H](NOC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(2)7(8(11)12)10-13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyWRYUMJBAAOFMSJ-ZETCQYMHSA-N
MW189.25 g/mol
LogP1.42
Rot. Bonds4

About (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid

(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid (PubChem CID 54446615) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
PubChem CID54446615
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
SMILESCC(C)[C@H](NOC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(2)7(8(11)12)10-13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyWRYUMJBAAOFMSJ-ZETCQYMHSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
CID 174326235
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 82720828
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpentanoic acid
CID 154733829
2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
CID 103499035

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid (CID 54446615) is (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid is CC(C)[C@H](NOC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid?
The InChIKey is WRYUMJBAAOFMSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(2)7(8(11)12)10-13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid?
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid has a molecular weight of 189.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid is sourced from PubChem (CID 54446615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).