methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate

C15H28N2O2 — CID 63910948

IUPACmethyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
SMILESCCCN(CC1CC1)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-17(10-12-5-6-12)11-15(16-2,13-7-8-13)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyPDFXPSXINUJNAL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds9

About methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate (PubChem CID 63910948) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
PubChem CID63910948
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
SMILESCCCN(CC1CC1)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-17(10-12-5-6-12)11-15(16-2,13-7-8-13)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyPDFXPSXINUJNAL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659
methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
CID 63909759

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate (CID 63910948) is methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate is CCCN(CC1CC1)CC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate?
The InChIKey is PDFXPSXINUJNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-9-17(10-12-5-6-12)11-15(16-2,13-7-8-13)14(18)19-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 63910948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).