methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate

C9H18N2O3 — CID 62011552

IUPACmethyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
SMILESCCCN(CCC(N)=O)CC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-3-5-11(6-4-8(10)12)7-9(13)14-2/h3-7H2,1-2H3,(H2,10,12)
InChIKeyVUQXEHDTOSEBKJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.25
Rot. Bonds7

About methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate

methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate (PubChem CID 62011552) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
PubChem CID62011552
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
SMILESCCCN(CCC(N)=O)CC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-3-5-11(6-4-8(10)12)7-9(13)14-2/h3-7H2,1-2H3,(H2,10,12)
InChIKeyVUQXEHDTOSEBKJ-UHFFFAOYSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate 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

methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate (CID 62011552) is methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate is CCCN(CCC(N)=O)CC(=O)OC.
What is the InChIKey of methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate?
The InChIKey is VUQXEHDTOSEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-11(6-4-8(10)12)7-9(13)14-2/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate?
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate is sourced from PubChem (CID 62011552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).