N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide

C15H27N3O — CID 99792082

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC1(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)15(5,10-16)18-13(19)9-17-12-7-6-8-14(12,3)4/h11-12,17H,6-9H2,1-5H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyCVEYBFLPBVLSOA-DOMZBBRYSA-N
MW265.40 g/mol
LogP2.21
Rot. Bonds5

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide (PubChem CID 99792082) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide
PubChem CID99792082
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC1(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)15(5,10-16)18-13(19)9-17-12-7-6-8-14(12,3)4/h11-12,17H,6-9H2,1-5H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyCVEYBFLPBVLSOA-DOMZBBRYSA-N
XLogP2.21
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide (CID 99792082) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC1(C)C.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide?
The InChIKey is CVEYBFLPBVLSOA-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)15(5,10-16)18-13(19)9-17-12-7-6-8-14(12,3)4/h11-12,17H,6-9H2,1-5H3,(H,18,19)/t12-,15+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide is sourced from PubChem (CID 99792082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).