3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C10H20N2O5 — CID 11322610

IUPAC3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCONC(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-6(12-16-5)7(8(13)14)11-9(15)17-10(2,3)4/h6-7,12H,1-5H3,(H,11,15)(H,13,14)
InChIKeyMNDCQMKTVNYHDH-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.50
Rot. Bonds5

About 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 11322610) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID11322610
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCONC(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-6(12-16-5)7(8(13)14)11-9(15)17-10(2,3)4/h6-7,12H,1-5H3,(H,11,15)(H,13,14)
InChIKeyMNDCQMKTVNYHDH-UHFFFAOYSA-N
XLogP0.50
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(sulfinooxyamino)butanoic acid
CID 175038893
(2S)-3,3-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154966120
(2S)-4-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 86699111
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpentanoic acid
CID 154733829
(2R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 126969835
(3R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87925903
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
(2R,3R)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 16743319
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763

Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 11322610) is 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CONC(C)C(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is MNDCQMKTVNYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-6(12-16-5)7(8(13)14)11-9(15)17-10(2,3)4/h6-7,12H,1-5H3,(H,11,15)(H,13,14).
What are the key properties of 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 11322610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).