ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate

C15H28N2O2 — CID 64522428

IUPACethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(CC1CC1)C1CC1)C(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-9-16-14(15(18)19-4-2)11-17(13-7-8-13)10-12-5-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyOTFXSSQGVDMCBA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds10

About ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate

ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate (PubChem CID 64522428) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate
PubChem CID64522428
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(CC1CC1)C1CC1)C(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-9-16-14(15(18)19-4-2)11-17(13-7-8-13)10-12-5-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyOTFXSSQGVDMCBA-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)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

3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521842
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
CID 64521638
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
ethyl N-cyclopropyl-N-(cyclopropylmethyl)carbamate
CID 63101705
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate?
The IUPAC name of ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate (CID 64522428) is ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate?
The canonical SMILES for ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate is CCCNC(CN(CC1CC1)C1CC1)C(=O)OCC.
What is the InChIKey of ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate?
The InChIKey is OTFXSSQGVDMCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-16-14(15(18)19-4-2)11-17(13-7-8-13)10-12-5-6-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate?
ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate is sourced from PubChem (CID 64522428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).