tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate

C16H34N2O2 — CID 94133522

IUPACtert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
SMILESCCN(CC)CCC[C@@H](C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-18(8-2)13-9-10-14(3)17-12-11-15(19)20-16(4,5)6/h14,17H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyLCWKQYRWIJCTTH-CQSZACIVSA-N
MW286.46 g/mol
LogP2.82
Rot. Bonds10

About tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate

tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate (PubChem CID 94133522) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
PubChem CID94133522
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
SMILESCCN(CC)CCC[C@@H](C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-18(8-2)13-9-10-14(3)17-12-11-15(19)20-16(4,5)6/h14,17H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyLCWKQYRWIJCTTH-CQSZACIVSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate 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

tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 4-(diethylamino)butanoate
CID 122660980
tert-butyl 2-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]acetate
CID 111779763
tert-butyl 3-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 103265875
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 125462480
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate (CID 94133522) is tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate is CCN(CC)CCC[C@@H](C)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate?
The InChIKey is LCWKQYRWIJCTTH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-18(8-2)13-9-10-14(3)17-12-11-15(19)20-16(4,5)6/h14,17H,7-13H2,1-6H3/t14-/m1/s1.
What are the key properties of tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate?
tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate has a molecular weight of 286.46 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate is sourced from PubChem (CID 94133522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).