hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid

C8H19N3O4 — CID 86656444

IUPAChydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
SMILESCOC(=O)N[C@H](C(=O)O)C(C)(C)C.NN
InChIInChI=1S/C8H15NO4.H4N2/c1-8(2,3)5(6(10)11)9-7(12)13-4;1-2/h5H,1-4H3,(H,9,12)(H,10,11);1-2H2/t5-;/m1./s1
InChIKeyXMYGFVNQLNTTDB-NUBCRITNSA-N
MW221.26 g/mol
LogP-0.34
Rot. Bonds2

About hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid

hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid (PubChem CID 86656444) has the molecular formula C8H19N3O4 and a molecular weight of 221.26 g/mol. Its IUPAC name is hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Namehydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
PubChem CID86656444
Molecular FormulaC8H19N3O4
Molecular Weight221.26 g/mol
Exact Mass221.14
IUPAC Namehydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
SMILESCOC(=O)N[C@H](C(=O)O)C(C)(C)C.NN
InChIInChI=1S/C8H15NO4.H4N2/c1-8(2,3)5(6(10)11)9-7(12)13-4;1-2/h5H,1-4H3,(H,9,12)(H,10,11);1-2H2/t5-;/m1./s1
InChIKeyXMYGFVNQLNTTDB-NUBCRITNSA-N
XLogP-0.34
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
CID 27282404
(2S)-2-amino-3-methoxy-3-methylbutanoic acid;(2S)-3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid
CID 87134491
3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 86762796
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
2-tert-butyl-4-methoxy-3-(methoxycarbonylamino)-4-oxobutanoic acid
CID 174388659
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223

Frequently Asked Questions

What is the IUPAC name of hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid (CID 86656444) is hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid is COC(=O)N[C@H](C(=O)O)C(C)(C)C.NN.
What is the InChIKey of hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is XMYGFVNQLNTTDB-NUBCRITNSA-N. The full InChI is InChI=1S/C8H15NO4.H4N2/c1-8(2,3)5(6(10)11)9-7(12)13-4;1-2/h5H,1-4H3,(H,9,12)(H,10,11);1-2H2/t5-;/m1./s1.
What are the key properties of hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid?
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 221.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 86656444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).