(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide

C12H15FN2O — CID 119332670

IUPAC(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
SMILESC[C@H](N)C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C12H15FN2O/c1-8(14)11(16)15-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyQFIPZHGYRNUWRP-QMMMGPOBSA-N
MW222.26 g/mol
LogP1.28
Rot. Bonds3

About (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide

(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide (PubChem CID 119332670) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
PubChem CID119332670
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
SMILESC[C@H](N)C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C12H15FN2O/c1-8(14)11(16)15-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyQFIPZHGYRNUWRP-QMMMGPOBSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469918
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
2-aminopropanoic acid;1,3-difluorobenzene;ethane
CID 143238171

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide (CID 119332670) is (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide is C[C@H](N)C(=O)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide?
The InChIKey is QFIPZHGYRNUWRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(14)11(16)15-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide?
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide has a molecular weight of 222.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide is sourced from PubChem (CID 119332670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).