2-methylpropyl 4-aminooxolane-3-carboxylate

C9H17NO3 — CID 66239922

IUPAC2-methylpropyl 4-aminooxolane-3-carboxylate
SMILESCC(C)COC(=O)C1COCC1N
InChIInChI=1S/C9H17NO3/c1-6(2)3-13-9(11)7-4-12-5-8(7)10/h6-8H,3-5,10H2,1-2H3
InChIKeyKFQXWVXBFVUNPE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds3

About 2-methylpropyl 4-aminooxolane-3-carboxylate

2-methylpropyl 4-aminooxolane-3-carboxylate (PubChem CID 66239922) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methylpropyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-aminooxolane-3-carboxylate
PubChem CID66239922
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methylpropyl 4-aminooxolane-3-carboxylate
SMILESCC(C)COC(=O)C1COCC1N
InChIInChI=1S/C9H17NO3/c1-6(2)3-13-9(11)7-4-12-5-8(7)10/h6-8H,3-5,10H2,1-2H3
InChIKeyKFQXWVXBFVUNPE-UHFFFAOYSA-N
XLogP0.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
pentan-2-yl 4-aminooxolane-3-carboxylate
CID 102982710
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
CID 104563231
2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
cycloheptylmethyl 4-aminooxolane-3-carboxylate
CID 114248590
4-amino-N-cyclopropyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 66239455
2-methylpropyl cyclopropanecarboxylate
CID 549520
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
CID 66239919
4-amino-N-ethyl-N-propan-2-yloxolane-3-carboxamide
CID 66238409
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-aminooxolane-3-carboxylate?
The IUPAC name of 2-methylpropyl 4-aminooxolane-3-carboxylate (CID 66239922) is 2-methylpropyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for 2-methylpropyl 4-aminooxolane-3-carboxylate is CC(C)COC(=O)C1COCC1N.
What is the InChIKey of 2-methylpropyl 4-aminooxolane-3-carboxylate?
The InChIKey is KFQXWVXBFVUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)3-13-9(11)7-4-12-5-8(7)10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 2-methylpropyl 4-aminooxolane-3-carboxylate?
2-methylpropyl 4-aminooxolane-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 66239922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).