tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 66688039

IUPACtert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CC1CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-4-7-14(15,10-16)9-11-5-6-11/h11,16H,4-10H2,1-3H3
InChIKeySHJQQUUCRDUSLB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 66688039) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID66688039
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CC1CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-4-7-14(15,10-16)9-11-5-6-11/h11,16H,4-10H2,1-3H3
InChIKeySHJQQUUCRDUSLB-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 66688039) is tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(CO)CC1CC1.
What is the InChIKey of tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is SHJQQUUCRDUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-4-7-14(15,10-16)9-11-5-6-11/h11,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66688039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).