1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide

C15H21N5O2 — CID 11666622

IUPAC1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1
InChIInChI=1S/C15H21N5O2/c1-18-14(22)15(6-2-3-7-15)19-10-13(21)20-11(8-16)4-5-12(20)9-17/h11-12,19H,2-7,10H2,1H3,(H,18,22)/t11-,12+
InChIKeyJOYHHGJMDFDTHQ-TXEJJXNPSA-N
MW303.37 g/mol
LogP0.04
Rot. Bonds4

About 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide

1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 11666622) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide
PubChem CID11666622
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1
InChIInChI=1S/C15H21N5O2/c1-18-14(22)15(6-2-3-7-15)19-10-13(21)20-11(8-16)4-5-12(20)9-17/h11-12,19H,2-7,10H2,1H3,(H,18,22)/t11-,12+
InChIKeyJOYHHGJMDFDTHQ-TXEJJXNPSA-N
XLogP0.04
TPSA109.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide (CID 11666622) is 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1.
What is the InChIKey of 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is JOYHHGJMDFDTHQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18-14(22)15(6-2-3-7-15)19-10-13(21)20-11(8-16)4-5-12(20)9-17/h11-12,19H,2-7,10H2,1H3,(H,18,22)/t11-,12+.
What are the key properties of 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide?
1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 11666622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).