tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate

C13H28N2O2 — CID 104864475

IUPACtert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
SMILESCC(CCN(C)C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(8-10-15(5)6)14-9-7-12(16)17-13(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyZRBKZAJPMSWJOO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds7

About tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate

tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate (PubChem CID 104864475) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
PubChem CID104864475
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
SMILESCC(CCN(C)C)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(8-10-15(5)6)14-9-7-12(16)17-13(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyZRBKZAJPMSWJOO-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]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-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
tert-butyl 3-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 103265875
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
CID 79361609
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
CID 54958485
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate?
The IUPAC name of tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate (CID 104864475) is tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate?
The canonical SMILES for tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate is CC(CCN(C)C)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate?
The InChIKey is ZRBKZAJPMSWJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(8-10-15(5)6)14-9-7-12(16)17-13(2,3)4/h11,14H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate?
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate is sourced from PubChem (CID 104864475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).