2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide

C17H25N3O2 — CID 97212587

IUPAC2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide
SMILESCCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-3-6-12(2)17(22)19-13-9-10-20(11-13)15-8-5-4-7-14(15)16(18)21/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1
InChIKeyLOJJJIMPXRSROW-QWHCGFSZSA-N
MW303.41 g/mol
LogP1.92
Rot. Bonds6

About 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide

2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide (PubChem CID 97212587) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide
PubChem CID97212587
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide
SMILESCCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-3-6-12(2)17(22)19-13-9-10-20(11-13)15-8-5-4-7-14(15)16(18)21/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1
InChIKeyLOJJJIMPXRSROW-QWHCGFSZSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide?
The IUPAC name of 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide (CID 97212587) is 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide is CCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide?
The InChIKey is LOJJJIMPXRSROW-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-6-12(2)17(22)19-13-9-10-20(11-13)15-8-5-4-7-14(15)16(18)21/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1.
What are the key properties of 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide?
2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 97212587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).