methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate

C10H19NO3 — CID 117238102

IUPACmethyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(CN(C)C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-11(2)6-9(10(12)13-3)8-4-5-14-7-8/h8-9H,4-7H2,1-3H3
InChIKeyKSPRPFQINNQQKF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.37
Rot. Bonds4

About methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate

methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate (PubChem CID 117238102) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
PubChem CID117238102
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(CN(C)C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-11(2)6-9(10(12)13-3)8-4-5-14-7-8/h8-9H,4-7H2,1-3H3
InChIKeyKSPRPFQINNQQKF-UHFFFAOYSA-N
XLogP0.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
CID 117238072
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
CID 113260390
hydroxymethyl 2-chloro-2-(oxolan-3-yl)acetate
CID 88920668
methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
CID 116910252
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
methyl 2-[hydroxy(oxan-4-yl)methyl]butanoate
CID 62395274

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate (CID 117238102) is methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate is COC(=O)C(CN(C)C)C1CCOC1.
What is the InChIKey of methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate?
The InChIKey is KSPRPFQINNQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(2)6-9(10(12)13-3)8-4-5-14-7-8/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate?
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate is sourced from PubChem (CID 117238102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).