ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate

C15H20N2O2 — CID 66652843

IUPACethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate
SMILESCCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-4-14(15(18)19-5-2)17-11(3)13-8-6-12(10-16)7-9-13/h6-9,11,14,17H,4-5H2,1-3H3/t11-,14-/m1/s1
InChIKeyNFWQATGYWOTOHB-BXUZGUMPSA-N
MW260.34 g/mol
LogP2.55
Rot. Bonds6

About ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate

ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate (PubChem CID 66652843) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate
PubChem CID66652843
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate
SMILESCCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-4-14(15(18)19-5-2)17-11(3)13-8-6-12(10-16)7-9-13/h6-9,11,14,17H,4-5H2,1-3H3/t11-,14-/m1/s1
InChIKeyNFWQATGYWOTOHB-BXUZGUMPSA-N
XLogP2.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[1-(4-bromophenyl)ethylamino]butanoate
CID 64669154
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
2-[1-(4-cyanophenyl)ethylamino]pentanoic acid
CID 65055571
methyl 2-[1-(4-cyanophenyl)ethylamino]-4-methylpentanoate
CID 43689035
ethyl (2R)-3-(4-cyanophenyl)-2-methylpropanoate
CID 124632195
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
ethyl 4-[1-(4-cyanophenyl)ethylamino]-3-hydroxybutanoate
CID 103240179
(2S)-2-amino-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 79024420
ethyl (2S)-2-anilino-2-(4-cyanophenyl)acetate
CID 86338761
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate?
The IUPAC name of ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate (CID 66652843) is ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate.
What is the SMILES notation for ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate?
The canonical SMILES for ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate is CCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1.
What is the InChIKey of ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate?
The InChIKey is NFWQATGYWOTOHB-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-14(15(18)19-5-2)17-11(3)13-8-6-12(10-16)7-9-13/h6-9,11,14,17H,4-5H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate?
ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate has a molecular weight of 260.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate is sourced from PubChem (CID 66652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).