(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one

C15H29FN4O3S — CID 71153686

IUPAC(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one
SMILESCC(C)S(=O)(=O)N1CCCC(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2N)C1
InChIInChI=1S/C15H29FN4O3S/c1-10(2)24(22,23)19-5-3-4-11(8-19)6-13(17)15(21)20-9-12(16)7-14(20)18/h10-14H,3-9,17-18H2,1-2H3/t11?,12-,13-,14-/m0/s1
InChIKeyACPFJHSKDFLJOB-LNIMBWABSA-N
MW364.49 g/mol
LogP0.01
Rot. Bonds5

About (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one

(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one (PubChem CID 71153686) has the molecular formula C15H29FN4O3S and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one
PubChem CID71153686
Molecular FormulaC15H29FN4O3S
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one
SMILESCC(C)S(=O)(=O)N1CCCC(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2N)C1
InChIInChI=1S/C15H29FN4O3S/c1-10(2)24(22,23)19-5-3-4-11(8-19)6-13(17)15(21)20-9-12(16)7-14(20)18/h10-14H,3-9,17-18H2,1-2H3/t11?,12-,13-,14-/m0/s1
InChIKeyACPFJHSKDFLJOB-LNIMBWABSA-N
XLogP0.01
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one (CID 71153686) is (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one is CC(C)S(=O)(=O)N1CCCC(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2N)C1.
What is the InChIKey of (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one?
The InChIKey is ACPFJHSKDFLJOB-LNIMBWABSA-N. The full InChI is InChI=1S/C15H29FN4O3S/c1-10(2)24(22,23)19-5-3-4-11(8-19)6-13(17)15(21)20-9-12(16)7-14(20)18/h10-14H,3-9,17-18H2,1-2H3/t11?,12-,13-,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one?
(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one has a molecular weight of 364.49 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 71153686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).