nitroso (2S,3S)-2-amino-3-methylpentanoate

C6H12N2O3 — CID 174956723

IUPACnitroso (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)ON=O
InChIInChI=1S/C6H12N2O3/c1-3-4(2)5(7)6(9)11-8-10/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1
InChIKeyTZAXAHFQUGJOMJ-WHFBIAKZSA-N
MW160.17 g/mol
LogP0.58
Rot. Bonds4

About nitroso (2S,3S)-2-amino-3-methylpentanoate

nitroso (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 174956723) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is nitroso (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Namenitroso (2S,3S)-2-amino-3-methylpentanoate
PubChem CID174956723
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namenitroso (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)ON=O
InChIInChI=1S/C6H12N2O3/c1-3-4(2)5(7)6(9)11-8-10/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1
InChIKeyTZAXAHFQUGJOMJ-WHFBIAKZSA-N
XLogP0.58
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methylpentanamide
CID 10290817
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
nitroso 2-hydroxypropanoate
CID 123367826
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
nitroso 2-methyldecanoate
CID 174579613
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270

Frequently Asked Questions

What is the IUPAC name of nitroso (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of nitroso (2S,3S)-2-amino-3-methylpentanoate (CID 174956723) is nitroso (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for nitroso (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for nitroso (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)ON=O.
What is the InChIKey of nitroso (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is TZAXAHFQUGJOMJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-4(2)5(7)6(9)11-8-10/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of nitroso (2S,3S)-2-amino-3-methylpentanoate?
nitroso (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 160.17 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 174956723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).