(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide

C10H20N2O2 — CID 163395457

IUPAC(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
SMILESCC(C)(C)CNC(=O)[C@H]1COC[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)6-12-9(13)7-4-14-5-8(7)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyVTIYVAWVNSLZLW-JGVFFNPUSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds2

About (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide

(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide (PubChem CID 163395457) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
PubChem CID163395457
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
SMILESCC(C)(C)CNC(=O)[C@H]1COC[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)6-12-9(13)7-4-14-5-8(7)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyVTIYVAWVNSLZLW-JGVFFNPUSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide (CID 163395457) is (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide is CC(C)(C)CNC(=O)[C@H]1COC[C@H]1N.
What is the InChIKey of (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide?
The InChIKey is VTIYVAWVNSLZLW-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)6-12-9(13)7-4-14-5-8(7)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide?
(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 163395457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).