phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate

C14H19NO3 — CID 79546809

IUPACphenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(O)CC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)10-12-6-5-9-15(12)14(17)18-13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3
InChIKeyAYLZTNPZWNLZQN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.42
Rot. Bonds3

About phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate

phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate (PubChem CID 79546809) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
PubChem CID79546809
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namephenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(O)CC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)10-12-6-5-9-15(12)14(17)18-13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3
InChIKeyAYLZTNPZWNLZQN-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
3-hydroxy-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-phenylbutan-1-one
CID 110026114
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
2,2-difluoro-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 109481274

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate (CID 79546809) is phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate is CC(O)CC1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The InChIKey is AYLZTNPZWNLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)10-12-6-5-9-15(12)14(17)18-13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3.
What are the key properties of phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 79546809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).