2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid

C14H20N2O2 — CID 54256545

IUPAC2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1cccc(C2CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,16-13(17)18)12-5-3-4-10(8-12)11-6-7-15-9-11/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyRALXNYWGTMNSGV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid

2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid (PubChem CID 54256545) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid
PubChem CID54256545
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1cccc(C2CCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,16-13(17)18)12-5-3-4-10(8-12)11-6-7-15-9-11/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyRALXNYWGTMNSGV-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-piperidin-4-ylphenyl)propanamide
CID 160550958
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
3-pyrrolidin-3-ylphenol
CID 12937992
ethane;3-phenylpyrrolidine
CID 91032726
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
2-(3-bromophenyl)propan-2-ylcarbamic acid
CID 68549708
2-phenylpropan-2-ylcarbamic acid
CID 23445609
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
CID 117116444
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid?
The IUPAC name of 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid (CID 54256545) is 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid.
What is the SMILES notation for 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid?
The canonical SMILES for 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1cccc(C2CCNC2)c1.
What is the InChIKey of 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid?
The InChIKey is RALXNYWGTMNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,16-13(17)18)12-5-3-4-10(8-12)11-6-7-15-9-11/h3-5,8,11,15-16H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid?
2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid has a molecular weight of 248.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid is sourced from PubChem (CID 54256545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).