ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate

C13H20N2O4 — CID 97307698

IUPACethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H20N2O4/c1-3-19-11(17)12(2,18)9-15-10(16)13(8-14)6-4-5-7-13/h18H,3-7,9H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNQVCDKIZOGXQLN-GFCCVEGCSA-N
MW268.31 g/mol
LogP0.50
Rot. Bonds5

About ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate

ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate (PubChem CID 97307698) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
PubChem CID97307698
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H20N2O4/c1-3-19-11(17)12(2,18)9-15-10(16)13(8-14)6-4-5-7-13/h18H,3-7,9H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNQVCDKIZOGXQLN-GFCCVEGCSA-N
XLogP0.50
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-(2-hydroxy-2,3-dimethylpentyl)cyclopentane-1-carboxamide
CID 111463620
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 104920281
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 111478882
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate (CID 97307698) is ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate is CCOC(=O)[C@](C)(O)CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is NQVCDKIZOGXQLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-19-11(17)12(2,18)9-15-10(16)13(8-14)6-4-5-7-13/h18H,3-7,9H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate?
ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 268.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 97307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).