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

C16H32N2O2 — CID 63906340

IUPACmethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
SMILESCCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3
InChIKeyBIVVPHOBZXNDMW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds11

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

methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (PubChem CID 63906340) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
PubChem CID63906340
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
SMILESCCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3
InChIKeyBIVVPHOBZXNDMW-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63910356
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 63925030
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The IUPAC name of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (CID 63906340) is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is CCCCN(CC)CC(NCCC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The InChIKey is BIVVPHOBZXNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-12-18(7-3)13-16(14-9-10-14,15(19)20-4)17-11-6-2/h14,17H,5-13H2,1-4H3.
What are the key properties of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is sourced from PubChem (CID 63906340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).