1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide

C13H17FN2O — CID 99833715

IUPAC1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide
SMILESC[C@@H](Cc1ccccc1F)NC1(C(N)=O)CC1
InChIInChI=1S/C13H17FN2O/c1-9(16-13(6-7-13)12(15)17)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H2,15,17)/t9-/m0/s1
InChIKeyINBYMTLWWDKFPF-VIFPVBQESA-N
MW236.29 g/mol
LogP1.36
Rot. Bonds5

About 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide

1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide (PubChem CID 99833715) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide
PubChem CID99833715
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide
SMILESC[C@@H](Cc1ccccc1F)NC1(C(N)=O)CC1
InChIInChI=1S/C13H17FN2O/c1-9(16-13(6-7-13)12(15)17)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H2,15,17)/t9-/m0/s1
InChIKeyINBYMTLWWDKFPF-VIFPVBQESA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide (CID 99833715) is 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide is C[C@@H](Cc1ccccc1F)NC1(C(N)=O)CC1.
What is the InChIKey of 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide?
The InChIKey is INBYMTLWWDKFPF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(16-13(6-7-13)12(15)17)8-10-4-2-3-5-11(10)14/h2-5,9,16H,6-8H2,1H3,(H2,15,17)/t9-/m0/s1.
What are the key properties of 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide?
1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 99833715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).