oxolan-2-ylmethyl 2-aminopropanoate

C8H15NO3 — CID 61279087

IUPACoxolan-2-ylmethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h6-7H,2-5,9H2,1H3
InChIKeyJCWZBURBPWVWKO-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds3

About oxolan-2-ylmethyl 2-aminopropanoate

oxolan-2-ylmethyl 2-aminopropanoate (PubChem CID 61279087) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-aminopropanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-aminopropanoate
PubChem CID61279087
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameoxolan-2-ylmethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCC1CCCO1
InChIInChI=1S/C8H15NO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h6-7H,2-5,9H2,1H3
InChIKeyJCWZBURBPWVWKO-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
CID 88611358
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
4-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) (E)-but-2-enedioate
CID 91695848
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 54390356
1-O-(oxolan-2-ylmethyl) 3-O-propyl 2-propylpropanedioate
CID 174580903
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-aminopropanoate?
The IUPAC name of oxolan-2-ylmethyl 2-aminopropanoate (CID 61279087) is oxolan-2-ylmethyl 2-aminopropanoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-aminopropanoate?
The canonical SMILES for oxolan-2-ylmethyl 2-aminopropanoate is CC(N)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-aminopropanoate?
The InChIKey is JCWZBURBPWVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h6-7H,2-5,9H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-aminopropanoate?
oxolan-2-ylmethyl 2-aminopropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-aminopropanoate is sourced from PubChem (CID 61279087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).