[(2S)-1-amino-3-methylbutan-2-yl] nitrite

C5H12N2O2 — CID 163649506

IUPAC[(2S)-1-amino-3-methylbutan-2-yl] nitrite
SMILESCC(C)[C@@H](CN)ON=O
InChIInChI=1S/C5H12N2O2/c1-4(2)5(3-6)9-7-8/h4-5H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyILAVTIPNHRGCAY-RXMQYKEDSA-N
MW132.16 g/mol
LogP0.67
Rot. Bonds4

About [(2S)-1-amino-3-methylbutan-2-yl] nitrite

[(2S)-1-amino-3-methylbutan-2-yl] nitrite (PubChem CID 163649506) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is [(2S)-1-amino-3-methylbutan-2-yl] nitrite.

Molecular Properties

Compound Name[(2S)-1-amino-3-methylbutan-2-yl] nitrite
PubChem CID163649506
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name[(2S)-1-amino-3-methylbutan-2-yl] nitrite
SMILESCC(C)[C@@H](CN)ON=O
InChIInChI=1S/C5H12N2O2/c1-4(2)5(3-6)9-7-8/h4-5H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyILAVTIPNHRGCAY-RXMQYKEDSA-N
XLogP0.67
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-methylbutan-1-amine
CID 62445436
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
2,3-dimethylbutane;ethanamine
CID 130404430
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
3-(ethoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81201842
(2S,3R)-2-methoxy-3-methylpentan-1-amine
CID 124510675
3-(methoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81202164
2-(cyclopropylmethoxy)-3-methylbutan-1-amine
CID 62457455
1-oxobutan-2-yl nitrite
CID 59256243
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
3-butylsulfinyl-2-methylpropan-1-amine
CID 81200794

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-3-methylbutan-2-yl] nitrite?
The IUPAC name of [(2S)-1-amino-3-methylbutan-2-yl] nitrite (CID 163649506) is [(2S)-1-amino-3-methylbutan-2-yl] nitrite.
What is the SMILES notation for [(2S)-1-amino-3-methylbutan-2-yl] nitrite?
The canonical SMILES for [(2S)-1-amino-3-methylbutan-2-yl] nitrite is CC(C)[C@@H](CN)ON=O.
What is the InChIKey of [(2S)-1-amino-3-methylbutan-2-yl] nitrite?
The InChIKey is ILAVTIPNHRGCAY-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(2)5(3-6)9-7-8/h4-5H,3,6H2,1-2H3/t5-/m1/s1.
What are the key properties of [(2S)-1-amino-3-methylbutan-2-yl] nitrite?
[(2S)-1-amino-3-methylbutan-2-yl] nitrite has a molecular weight of 132.16 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-3-methylbutan-2-yl] nitrite is sourced from PubChem (CID 163649506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).