methyl (2S)-2-amino-3-methylbutanimidate

C6H14N2O — CID 134918429

IUPACmethyl (2S)-2-amino-3-methylbutanimidate
SMILES[H]/N=C(\OC)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4-5,8H,7H2,1-3H3/b8-6-/t5-/m0/s1
InChIKeyDFLNNMKHLGBCRK-JCVXODEMSA-N
MW130.19 g/mol
LogP0.59
Rot. Bonds2

About methyl (2S)-2-amino-3-methylbutanimidate

methyl (2S)-2-amino-3-methylbutanimidate (PubChem CID 134918429) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-methylbutanimidate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-methylbutanimidate
PubChem CID134918429
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemethyl (2S)-2-amino-3-methylbutanimidate
SMILES[H]/N=C(\OC)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4-5,8H,7H2,1-3H3/b8-6-/t5-/m0/s1
InChIKeyDFLNNMKHLGBCRK-JCVXODEMSA-N
XLogP0.59
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.59
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 (2S)-2-amino-3-methylbutanimidate 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-amino-3-methylbutanoate chloride
CID 3083912
1-imino-1-methoxypropane-2-sulfonic acid
CID 174553205
(2R)-2-methoxypropanimidamide
CID 11768515
2-amino-3-methylbutanoic acid;methyl acetate
CID 174767178
methyl (2R)-2-phenylpropanimidate
CID 92977760
methyl 2-hydroxypentanimidate
CID 130126876
ethanimidoyl 2-methylpropanimidate
CID 153001593
methyl 2-methoxypentanimidate
CID 116727295
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
2-(methoxymethyl)-4-methylpent-1-en-3-amine
CID 130921121
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
methyl N-methyl-N-propan-2-ylcarbamimidate
CID 45087420

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-methylbutanimidate?
The IUPAC name of methyl (2S)-2-amino-3-methylbutanimidate (CID 134918429) is methyl (2S)-2-amino-3-methylbutanimidate.
What is the SMILES notation for methyl (2S)-2-amino-3-methylbutanimidate?
The canonical SMILES for methyl (2S)-2-amino-3-methylbutanimidate is [H]/N=C(\OC)[C@@H](N)C(C)C.
What is the InChIKey of methyl (2S)-2-amino-3-methylbutanimidate?
The InChIKey is DFLNNMKHLGBCRK-JCVXODEMSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4-5,8H,7H2,1-3H3/b8-6-/t5-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-methylbutanimidate?
methyl (2S)-2-amino-3-methylbutanimidate has a molecular weight of 130.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-methylbutanimidate is sourced from PubChem (CID 134918429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).