(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide

C5H10N2O2 — CID 130389992

IUPAC(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide
SMILESC[C@@H]1OC1(CN)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-5(2-6,9-3)4(7)8/h3H,2,6H2,1H3,(H2,7,8)/t3-,5?/m0/s1
InChIKeyKNDLDOCZSMVIBI-WWLRPLJCSA-N
MW130.15 g/mol
LogP-1.41
Rot. Bonds2

About (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide

(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide (PubChem CID 130389992) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide
PubChem CID130389992
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide
SMILESC[C@@H]1OC1(CN)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-3-5(2-6,9-3)4(7)8/h3H,2,6H2,1H3,(H2,7,8)/t3-,5?/m0/s1
InChIKeyKNDLDOCZSMVIBI-WWLRPLJCSA-N
XLogP-1.41
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-3-methyloxiran-2-amine
CID 163594163
ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate
CID 10081554
2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide
CID 134349814
methyl (2S)-2-[(2R,3R)-2,3-dimethyloxiran-2-yl]-2-hydroxyacetate
CID 131010889
N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
CID 20511389
2-fluoro-3-methyloxirane-2-carboxylic acid
CID 151667742
3-ethyl-4-methyldioxetane-3-carboxylic acid
CID 19752032
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442458
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-carbamoyl-6-methoxyoxan-2-yl]methyl acetate
CID 101466757
2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
4-hydroxy-1-[(4R)-4-(3-hydroxyprop-2-ynoyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]but-3-yn-2-one
CID 91391267

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide?
The IUPAC name of (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide (CID 130389992) is (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide is C[C@@H]1OC1(CN)C(N)=O.
What is the InChIKey of (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide?
The InChIKey is KNDLDOCZSMVIBI-WWLRPLJCSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-5(2-6,9-3)4(7)8/h3H,2,6H2,1H3,(H2,7,8)/t3-,5?/m0/s1.
What are the key properties of (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide?
(3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide has a molecular weight of 130.15 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(aminomethyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 130389992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).