(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

C14H18ClNO3 — CID 175094409

IUPAC(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O)C1CCCN1C(=O)Oc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKeyASVRZLPTXJANJB-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.07
Rot. Bonds2

About (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 175094409) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID175094409
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O)C1CCCN1C(=O)Oc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKeyASVRZLPTXJANJB-UHFFFAOYSA-N
XLogP3.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate
CID 89322008
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 97330210
phenyl 2-(2-phenylsulfanylpropan-2-yl)pyrrolidine-1-carboxylate
CID 11313852
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 86781661
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75517615
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 75431165
tert-butyl (2R,3R)-2-(2-chlorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54027843

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (CID 175094409) is (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(O)C1CCCN1C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is ASVRZLPTXJANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3.
What are the key properties of (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 283.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).