azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid

C8H17NO3 — CID 174367225

IUPACazane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid
SMILESCCCC[C@@H]1O[C@H]1CC(=O)O.N
InChIInChI=1S/C8H14O3.H3N/c1-2-3-4-6-7(11-6)5-8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);1H3/t6-,7-;/m0./s1
InChIKeyGCLNXQVXPHUEOX-LEUCUCNGSA-N
MW175.23 g/mol
LogP1.58
Rot. Bonds5

About azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid

azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid (PubChem CID 174367225) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid.

Molecular Properties

Compound Nameazane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid
PubChem CID174367225
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameazane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid
SMILESCCCC[C@@H]1O[C@H]1CC(=O)O.N
InChIInChI=1S/C8H14O3.H3N/c1-2-3-4-6-7(11-6)5-8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);1H3/t6-,7-;/m0./s1
InChIKeyGCLNXQVXPHUEOX-LEUCUCNGSA-N
XLogP1.58
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid 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

9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-butyl-3-undecyloxirane
CID 88518775
12-(3-butyloxiran-2-yl)dodec-9-enoic acid
CID 142998968
2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate
CID 101288776
2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate
CID 101288837
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313

Frequently Asked Questions

What is the IUPAC name of azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid?
The IUPAC name of azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid (CID 174367225) is azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid.
What is the SMILES notation for azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid?
The canonical SMILES for azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid is CCCC[C@@H]1O[C@H]1CC(=O)O.N.
What is the InChIKey of azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid?
The InChIKey is GCLNXQVXPHUEOX-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H14O3.H3N/c1-2-3-4-6-7(11-6)5-8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);1H3/t6-,7-;/m0./s1.
What are the key properties of azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid?
azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid has a molecular weight of 175.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[(2S,3S)-3-butyloxiran-2-yl]acetic acid is sourced from PubChem (CID 174367225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).