methyl 2-hydroxypentanimidate

C6H13NO2 — CID 130126876

IUPACmethyl 2-hydroxypentanimidate
SMILES[H]/N=C(\OC)C(O)CCC
InChIInChI=1S/C6H13NO2/c1-3-4-5(8)6(7)9-2/h5,7-8H,3-4H2,1-2H3/b7-6-
InChIKeyBQZLQEFSVRLZMT-SREVYHEPSA-N
MW131.17 g/mol
LogP0.77
Rot. Bonds3

About methyl 2-hydroxypentanimidate

methyl 2-hydroxypentanimidate (PubChem CID 130126876) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methyl 2-hydroxypentanimidate.

Molecular Properties

Compound Namemethyl 2-hydroxypentanimidate
PubChem CID130126876
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethyl 2-hydroxypentanimidate
SMILES[H]/N=C(\OC)C(O)CCC
InChIInChI=1S/C6H13NO2/c1-3-4-5(8)6(7)9-2/h5,7-8H,3-4H2,1-2H3/b7-6-
InChIKeyBQZLQEFSVRLZMT-SREVYHEPSA-N
XLogP0.77
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-hydroxypentanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methoxypentanimidate
CID 116727295
methyl 2-hydroxypentanoate
CID 543619
(E)-1-amino-2-methanimidoylhex-1-en-3-ol
CID 144877709
octane-4,5-diol;hydrate
CID 141056272
2-methylpentane
CID 7892
methyl (2S)-2-amino-3-methylbutanimidate
CID 134918429
(3S)-3-methylhexan-2-imine
CID 149359557
hex-1-ene-2,3-diol
CID 87891998
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
3-hydroxyhexan-2-one
CID 15525237
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
CID 165015674
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxypentanimidate?
The IUPAC name of methyl 2-hydroxypentanimidate (CID 130126876) is methyl 2-hydroxypentanimidate.
What is the SMILES notation for methyl 2-hydroxypentanimidate?
The canonical SMILES for methyl 2-hydroxypentanimidate is [H]/N=C(\OC)C(O)CCC.
What is the InChIKey of methyl 2-hydroxypentanimidate?
The InChIKey is BQZLQEFSVRLZMT-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-5(8)6(7)9-2/h5,7-8H,3-4H2,1-2H3/b7-6-.
What are the key properties of methyl 2-hydroxypentanimidate?
methyl 2-hydroxypentanimidate has a molecular weight of 131.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxypentanimidate is sourced from PubChem (CID 130126876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).