2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate

C17H28N2O2 — CID 57268227

IUPAC2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-13(2)15-9-7-8-10-16(15)18-14(3)17(20)21-12-11-19(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyWVIDHLHKMUXZGC-KZUDCZAMSA-N
MW292.42 g/mol
LogP3.11
Rot. Bonds8

About 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate

2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate (PubChem CID 57268227) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
PubChem CID57268227
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O2/c1-6-13(2)15-9-7-8-10-16(15)18-14(3)17(20)21-12-11-19(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3/t13?,14-/m0/s1
InChIKeyWVIDHLHKMUXZGC-KZUDCZAMSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
CID 69454696
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462556

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The IUPAC name of 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate (CID 57268227) is 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The canonical SMILES for 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate is CCC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The InChIKey is WVIDHLHKMUXZGC-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-13(2)15-9-7-8-10-16(15)18-14(3)17(20)21-12-11-19(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate?
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate has a molecular weight of 292.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate is sourced from PubChem (CID 57268227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).