methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate

C9H17NO3 — CID 131474153

IUPACmethyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(O)CCNC1
InChIInChI=1S/C9H17NO3/c1-8(2,7(11)13-3)9(12)4-5-10-6-9/h10,12H,4-6H2,1-3H3
InChIKeyRWXGEIAKJLBVRA-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds2

About methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate

methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate (PubChem CID 131474153) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate
PubChem CID131474153
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(O)CCNC1
InChIInChI=1S/C9H17NO3/c1-8(2,7(11)13-3)9(12)4-5-10-6-9/h10,12H,4-6H2,1-3H3
InChIKeyRWXGEIAKJLBVRA-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate (CID 131474153) is methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate is COC(=O)C(C)(C)C1(O)CCNC1.
What is the InChIKey of methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate?
The InChIKey is RWXGEIAKJLBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,7(11)13-3)9(12)4-5-10-6-9/h10,12H,4-6H2,1-3H3.
What are the key properties of methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate?
methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate is sourced from PubChem (CID 131474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).