(2S)-2-amino-3-methylbutanoic acid;oxolane

C13H27NO4 — CID 67900314

IUPAC(2S)-2-amino-3-methylbutanoic acid;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.2C4H8O/c1-3(2)4(6)5(7)8;2*1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2*1-4H2/t4-;;/m0../s1
InChIKeyKTOAYAMBNHZTMO-FHNDMYTFSA-N
MW261.36 g/mol
LogP1.65
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;oxolane

(2S)-2-amino-3-methylbutanoic acid;oxolane (PubChem CID 67900314) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;oxolane.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;oxolane
PubChem CID67900314
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.2C4H8O/c1-3(2)4(6)5(7)8;2*1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2*1-4H2/t4-;;/m0../s1
InChIKeyKTOAYAMBNHZTMO-FHNDMYTFSA-N
XLogP1.65
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;oxane
CID 67588156
(2S)-2-amino-3-methylbutanoic acid;morpholine
CID 68520693
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole
CID 67826607
tert-butyl 2-amino-3-methylbutanoate;oxolane
CID 174650975
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;oxolane?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;oxolane (CID 67900314) is (2S)-2-amino-3-methylbutanoic acid;oxolane.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;oxolane?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;oxolane is C1CCOC1.C1CCOC1.CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;oxolane?
The InChIKey is KTOAYAMBNHZTMO-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H11NO2.2C4H8O/c1-3(2)4(6)5(7)8;2*1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2*1-4H2/t4-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;oxolane?
(2S)-2-amino-3-methylbutanoic acid;oxolane has a molecular weight of 261.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;oxolane is sourced from PubChem (CID 67900314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).