oxolan-3-yl 3-(aminomethyl)pentanoate

C10H19NO3 — CID 81073069

IUPACoxolan-3-yl 3-(aminomethyl)pentanoate
SMILESCCC(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-8(6-11)5-10(12)14-9-3-4-13-7-9/h8-9H,2-7,11H2,1H3
InChIKeyANXDRWSDSVBMNC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds5

About oxolan-3-yl 3-(aminomethyl)pentanoate

oxolan-3-yl 3-(aminomethyl)pentanoate (PubChem CID 81073069) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-yl 3-(aminomethyl)pentanoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-(aminomethyl)pentanoate
PubChem CID81073069
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-yl 3-(aminomethyl)pentanoate
SMILESCCC(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-8(6-11)5-10(12)14-9-3-4-13-7-9/h8-9H,2-7,11H2,1H3
InChIKeyANXDRWSDSVBMNC-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972
(3,5-dimethylcyclohexyl) 3-(aminomethyl)pentanoate
CID 81073637
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
methyl 3-(aminomethyl)pentanoate
CID 66099134
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
oxetan-3-yl 3-aminobutanoate
CID 102606904
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
ethane;oxolan-3-yl N,N-dimethylcarbamate;propane
CID 144509155
oxolan-3-yl N-ethyl-N-methylcarbamate
CID 91397459

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-(aminomethyl)pentanoate?
The IUPAC name of oxolan-3-yl 3-(aminomethyl)pentanoate (CID 81073069) is oxolan-3-yl 3-(aminomethyl)pentanoate.
What is the SMILES notation for oxolan-3-yl 3-(aminomethyl)pentanoate?
The canonical SMILES for oxolan-3-yl 3-(aminomethyl)pentanoate is CCC(CN)CC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-(aminomethyl)pentanoate?
The InChIKey is ANXDRWSDSVBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-8(6-11)5-10(12)14-9-3-4-13-7-9/h8-9H,2-7,11H2,1H3.
What are the key properties of oxolan-3-yl 3-(aminomethyl)pentanoate?
oxolan-3-yl 3-(aminomethyl)pentanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-(aminomethyl)pentanoate is sourced from PubChem (CID 81073069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).