tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 70323559

IUPACtert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=C(O)CCCC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-11(16)6-5-7-12-8-9-15(10-12)13(17)18-14(2,3)4/h12,16H,1,5-10H2,2-4H3
InChIKeyWRZNIMSAHXVYOF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate (PubChem CID 70323559) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
PubChem CID70323559
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate
SMILESC=C(O)CCCC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-11(16)6-5-7-12-8-9-15(10-12)13(17)18-14(2,3)4/h12,16H,1,5-10H2,2-4H3
InChIKeyWRZNIMSAHXVYOF-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl (3S)-3-(2-cyanoethyl)pyrrolidine-1-carboxylate
CID 162761248
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate (CID 70323559) is tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate is C=C(O)CCCC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
The InChIKey is WRZNIMSAHXVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(16)6-5-7-12-8-9-15(10-12)13(17)18-14(2,3)4/h12,16H,1,5-10H2,2-4H3.
What are the key properties of tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxypent-4-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70323559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).