2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide

C17H16FN3OS — CID 44584936

IUPAC2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide
SMILESN#C[C@@]1(NC(=O)C(N)Cc2sccc2F)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/t12-,14?,17+/m1/s1
InChIKeyUUKJIEBFYVGYRF-YTQWVHSASA-N
MW329.40 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide

2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide (PubChem CID 44584936) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide
PubChem CID44584936
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide
SMILESN#C[C@@]1(NC(=O)C(N)Cc2sccc2F)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/t12-,14?,17+/m1/s1
InChIKeyUUKJIEBFYVGYRF-YTQWVHSASA-N
XLogP2.32
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide?
The IUPAC name of 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide (CID 44584936) is 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide?
The canonical SMILES for 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide is N#C[C@@]1(NC(=O)C(N)Cc2sccc2F)C[C@@H]1c1ccccc1.
What is the InChIKey of 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide?
The InChIKey is UUKJIEBFYVGYRF-YTQWVHSASA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/t12-,14?,17+/m1/s1.
What are the key properties of 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide?
2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide is sourced from PubChem (CID 44584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).