methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate

C16H30N2O2 — CID 63905808

IUPACmethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
SMILESCCCN(CCC)CC(NC1CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)12-16(13-6-7-13,15(19)20-3)17-14-8-9-14/h13-14,17H,4-12H2,1-3H3
InChIKeyHBNVOAUPCHINEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds10

About methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate

methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate (PubChem CID 63905808) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
PubChem CID63905808
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
SMILESCCCN(CCC)CC(NC1CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)12-16(13-6-7-13,15(19)20-3)17-14-8-9-14/h13-14,17H,4-12H2,1-3H3
InChIKeyHBNVOAUPCHINEY-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propanamide
CID 63911092
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
2-cyclopropyl-2-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanamide
CID 63910739
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82006240
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanoate
CID 63915507
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate (CID 63905808) is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate is CCCN(CCC)CC(NC1CC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate?
The InChIKey is HBNVOAUPCHINEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-18(11-5-2)12-16(13-6-7-13,15(19)20-3)17-14-8-9-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate?
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate is sourced from PubChem (CID 63905808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).