tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol

C19H31NO4 — CID 142090896

IUPACtert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol
SMILESCC(C)(C)OC(=O)C1CCCN1.OCCCOCc1ccccc1
InChIInChI=1S/C10H14O2.C9H17NO2/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-9(2,3)12-8(11)7-5-4-6-10-7/h1-3,5-6,11H,4,7-9H2;7,10H,4-6H2,1-3H3
InChIKeyQSBPNZLVZKRQIK-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.67
Rot. Bonds6

About tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol

tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol (PubChem CID 142090896) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Nametert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol
PubChem CID142090896
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Nametert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol
SMILESCC(C)(C)OC(=O)C1CCCN1.OCCCOCc1ccccc1
InChIInChI=1S/C10H14O2.C9H17NO2/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-9(2,3)12-8(11)7-5-4-6-10-7/h1-3,5-6,11H,4,7-9H2;7,10H,4-6H2,1-3H3
InChIKeyQSBPNZLVZKRQIK-UHFFFAOYSA-N
XLogP2.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol 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 (2R)-pyrrolidine-2-carboxylate
CID 6931635
N-(benzenesulfonyl)benzenesulfonamide;tert-butyl pyrrolidine-2-carboxylate
CID 74764862
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
tert-butyl 3-(3-hydroxypropyl)pyrrolidine-1-carboxylate;tert-butyl 3-(3-phenylmethoxypropyl)pyrrolidine-1-carboxylate
CID 161023380
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
(phenylmethoxyamino) (2S)-piperidine-2-carboxylate
CID 139413453
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol?
The IUPAC name of tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol (CID 142090896) is tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol.
What is the SMILES notation for tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol?
The canonical SMILES for tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol is CC(C)(C)OC(=O)C1CCCN1.OCCCOCc1ccccc1.
What is the InChIKey of tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol?
The InChIKey is QSBPNZLVZKRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C9H17NO2/c11-7-4-8-12-9-10-5-2-1-3-6-10;1-9(2,3)12-8(11)7-5-4-6-10-7/h1-3,5-6,11H,4,7-9H2;7,10H,4-6H2,1-3H3.
What are the key properties of tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol?
tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol has a molecular weight of 337.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-2-carboxylate;3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 142090896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).