(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide

C15H22FN3O — CID 69136155

IUPAC(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F
InChIInChI=1S/C15H22FN3O/c16-13-5-2-1-4-11(13)10-12(17)7-9-19-8-3-6-14(19)15(18)20/h1-2,4-5,12,14H,3,6-10,17H2,(H2,18,20)/t12-,14-/m0/s1
InChIKeyBSCAHZURROCPJI-JSGCOSHPSA-N
MW279.36 g/mol
LogP1.04
Rot. Bonds6

About (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide

(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide (PubChem CID 69136155) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
PubChem CID69136155
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F
InChIInChI=1S/C15H22FN3O/c16-13-5-2-1-4-11(13)10-12(17)7-9-19-8-3-6-14(19)15(18)20/h1-2,4-5,12,14H,3,6-10,17H2,(H2,18,20)/t12-,14-/m0/s1
InChIKeyBSCAHZURROCPJI-JSGCOSHPSA-N
XLogP1.04
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 143151502
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 10178068

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide (CID 69136155) is (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F.
What is the InChIKey of (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide?
The InChIKey is BSCAHZURROCPJI-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-13-5-2-1-4-11(13)10-12(17)7-9-19-8-3-6-14(19)15(18)20/h1-2,4-5,12,14H,3,6-10,17H2,(H2,18,20)/t12-,14-/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide?
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 69136155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).