(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide

C15H25N3O3 — CID 110107585

IUPAC(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)CC1CCCC1
InChIInChI=1S/C15H25N3O3/c1-10(19)18-8-12(15(21)16-2)13(9-18)17-14(20)7-11-5-3-4-6-11/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,20)/t12-,13+/m1/s1
InChIKeyYVMFIWBALGKEJA-OLZOCXBDSA-N
MW295.38 g/mol
LogP0.28
Rot. Bonds4

About (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide

(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide (PubChem CID 110107585) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide
PubChem CID110107585
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)CC1CCCC1
InChIInChI=1S/C15H25N3O3/c1-10(19)18-8-12(15(21)16-2)13(9-18)17-14(20)7-11-5-3-4-6-11/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,20)/t12-,13+/m1/s1
InChIKeyYVMFIWBALGKEJA-OLZOCXBDSA-N
XLogP0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide (CID 110107585) is (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)CC1CCCC1.
What is the InChIKey of (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is YVMFIWBALGKEJA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(19)18-8-12(15(21)16-2)13(9-18)17-14(20)7-11-5-3-4-6-11/h11-13H,3-9H2,1-2H3,(H,16,21)(H,17,20)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide?
(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110107585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).