methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate

C14H25NO3 — CID 103160960

IUPACmethyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(O)CC1CCCC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)13-7-4-8-15(13)10-12(16)9-11-5-2-3-6-11/h11-13,16H,2-10H2,1H3
InChIKeyWXXXWIOYZIINGB-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds5

About methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate

methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate (PubChem CID 103160960) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
PubChem CID103160960
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(O)CC1CCCC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)13-7-4-8-15(13)10-12(16)9-11-5-2-3-6-11/h11-13,16H,2-10H2,1H3
InChIKeyWXXXWIOYZIINGB-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate (CID 103160960) is methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(O)CC1CCCC1.
What is the InChIKey of methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The InChIKey is WXXXWIOYZIINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-14(17)13-7-4-8-15(13)10-12(16)9-11-5-2-3-6-11/h11-13,16H,2-10H2,1H3.
What are the key properties of methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate?
methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 103160960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).