oxolan-3-yl 1-aminocyclopropane-1-carboxylate

C8H13NO3 — CID 65453525

IUPACoxolan-3-yl 1-aminocyclopropane-1-carboxylate
SMILESNC1(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C8H13NO3/c9-8(2-3-8)7(10)12-6-1-4-11-5-6/h6H,1-5,9H2
InChIKeyLBPBBTMJQDZLTP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.19
Rot. Bonds2

About oxolan-3-yl 1-aminocyclopropane-1-carboxylate

oxolan-3-yl 1-aminocyclopropane-1-carboxylate (PubChem CID 65453525) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is oxolan-3-yl 1-aminocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 1-aminocyclopropane-1-carboxylate
PubChem CID65453525
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameoxolan-3-yl 1-aminocyclopropane-1-carboxylate
SMILESNC1(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C8H13NO3/c9-8(2-3-8)7(10)12-6-1-4-11-5-6/h6H,1-5,9H2
InChIKeyLBPBBTMJQDZLTP-UHFFFAOYSA-N
XLogP-0.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl 4-aminooxane-4-carboxylate
CID 115292709
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 102606951
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
CID 113280395
oxolan-3-yl 2-methyl-1-(2-methylpropyl)cyclobutane-1-carboxylate
CID 134267043
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
1-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
CID 130747191
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 1-aminocyclopropane-1-carboxylate?
The IUPAC name of oxolan-3-yl 1-aminocyclopropane-1-carboxylate (CID 65453525) is oxolan-3-yl 1-aminocyclopropane-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 1-aminocyclopropane-1-carboxylate?
The canonical SMILES for oxolan-3-yl 1-aminocyclopropane-1-carboxylate is NC1(C(=O)OC2CCOC2)CC1.
What is the InChIKey of oxolan-3-yl 1-aminocyclopropane-1-carboxylate?
The InChIKey is LBPBBTMJQDZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c9-8(2-3-8)7(10)12-6-1-4-11-5-6/h6H,1-5,9H2.
What are the key properties of oxolan-3-yl 1-aminocyclopropane-1-carboxylate?
oxolan-3-yl 1-aminocyclopropane-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 1-aminocyclopropane-1-carboxylate is sourced from PubChem (CID 65453525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).