tert-butyl 2-(2-aminoethylamino)propanoate

C9H20N2O2 — CID 66338502

IUPACtert-butyl 2-(2-aminoethylamino)propanoate
SMILESCC(NCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(11-6-5-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3
InChIKeyURNQQCNVVOLPEW-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.26
Rot. Bonds4

About tert-butyl 2-(2-aminoethylamino)propanoate

tert-butyl 2-(2-aminoethylamino)propanoate (PubChem CID 66338502) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethylamino)propanoate
PubChem CID66338502
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl 2-(2-aminoethylamino)propanoate
SMILESCC(NCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(11-6-5-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3
InChIKeyURNQQCNVVOLPEW-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(2-aminoethylamino)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 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
2-(2-aminoethylamino)propanamide
CID 20551229
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethylamino)propanoate?
The IUPAC name of tert-butyl 2-(2-aminoethylamino)propanoate (CID 66338502) is tert-butyl 2-(2-aminoethylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(2-aminoethylamino)propanoate?
The canonical SMILES for tert-butyl 2-(2-aminoethylamino)propanoate is CC(NCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-aminoethylamino)propanoate?
The InChIKey is URNQQCNVVOLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(11-6-5-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 2-(2-aminoethylamino)propanoate?
tert-butyl 2-(2-aminoethylamino)propanoate has a molecular weight of 188.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethylamino)propanoate is sourced from PubChem (CID 66338502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).