[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid

C11H13FN2O2 — CID 71014411

IUPAC[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)14-11(15)16/h1-4,9-10,13-14H,5-6H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyJLJRTHRYIUMCCS-ZJUUUORDSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid

[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 71014411) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
PubChem CID71014411
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)14-11(15)16/h1-4,9-10,13-14H,5-6H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyJLJRTHRYIUMCCS-ZJUUUORDSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4R)-4-(3,5-difluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014519
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 66715102
N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide
CID 165440649
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66715280
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068
tert-butyl N-[(3S,4R)-4-(3-bromophenyl)pyrrolidin-3-yl]carbamate
CID 57366582
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid (CID 71014411) is [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@H]1CNC[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is JLJRTHRYIUMCCS-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)14-11(15)16/h1-4,9-10,13-14H,5-6H2,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid?
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 71014411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).