pentan-2-yl 4-aminooxolane-3-carboxylate

C10H19NO3 — CID 102982710

IUPACpentan-2-yl 4-aminooxolane-3-carboxylate
SMILESCCCC(C)OC(=O)C1COCC1N
InChIInChI=1S/C10H19NO3/c1-3-4-7(2)14-10(12)8-5-13-6-9(8)11/h7-9H,3-6,11H2,1-2H3
InChIKeyHRGVPGHMVNATJN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About pentan-2-yl 4-aminooxolane-3-carboxylate

pentan-2-yl 4-aminooxolane-3-carboxylate (PubChem CID 102982710) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is pentan-2-yl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Namepentan-2-yl 4-aminooxolane-3-carboxylate
PubChem CID102982710
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepentan-2-yl 4-aminooxolane-3-carboxylate
SMILESCCCC(C)OC(=O)C1COCC1N
InChIInChI=1S/C10H19NO3/c1-3-4-7(2)14-10(12)8-5-13-6-9(8)11/h7-9H,3-6,11H2,1-2H3
InChIKeyHRGVPGHMVNATJN-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 102982666
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
butan-2-yl 4-(methylamino)oxolane-3-carboxylate
CID 66267071
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
CID 66239919
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
CID 104563231
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
CID 66238860
3-pentan-2-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262957

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 4-aminooxolane-3-carboxylate?
The IUPAC name of pentan-2-yl 4-aminooxolane-3-carboxylate (CID 102982710) is pentan-2-yl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for pentan-2-yl 4-aminooxolane-3-carboxylate?
The canonical SMILES for pentan-2-yl 4-aminooxolane-3-carboxylate is CCCC(C)OC(=O)C1COCC1N.
What is the InChIKey of pentan-2-yl 4-aminooxolane-3-carboxylate?
The InChIKey is HRGVPGHMVNATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-7(2)14-10(12)8-5-13-6-9(8)11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of pentan-2-yl 4-aminooxolane-3-carboxylate?
pentan-2-yl 4-aminooxolane-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 102982710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).