(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide

C14H17FN2O2 — CID 129425298

IUPAC(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1COCCN1
InChIInChI=1S/C14H17FN2O2/c15-10-3-1-2-9(6-10)11-7-12(11)17-14(18)13-8-19-5-4-16-13/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1
InChIKeyRTKKJZSVMFUPLL-JHJVBQTASA-N
MW264.30 g/mol
LogP0.79
Rot. Bonds3

About (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide

(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide (PubChem CID 129425298) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
PubChem CID129425298
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1COCCN1
InChIInChI=1S/C14H17FN2O2/c15-10-3-1-2-9(6-10)11-7-12(11)17-14(18)13-8-19-5-4-16-13/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1
InChIKeyRTKKJZSVMFUPLL-JHJVBQTASA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790129
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119830916
N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-3-carboxamide
CID 107222110
(2R)-N-(2-phenylcyclopropyl)piperidine-2-carboxamide
CID 113266214
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide (CID 129425298) is (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide is O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1COCCN1.
What is the InChIKey of (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide?
The InChIKey is RTKKJZSVMFUPLL-JHJVBQTASA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-3-1-2-9(6-10)11-7-12(11)17-14(18)13-8-19-5-4-16-13/h1-3,6,11-13,16H,4-5,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide?
(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide is sourced from PubChem (CID 129425298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).