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

C17H32N2O2 — CID 63910356

IUPACmethyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
SMILESCCCCN(CC(NCCC)(C(=O)OC)C1CC1)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-6-12-19(15-9-10-15)13-17(14-7-8-14,16(20)21-3)18-11-5-2/h14-15,18H,4-13H2,1-3H3
InChIKeyATGXWUOMGCTOKT-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds11

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

methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (PubChem CID 63910356) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
PubChem CID63910356
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
SMILESCCCCN(CC(NCCC)(C(=O)OC)C1CC1)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-6-12-19(15-9-10-15)13-17(14-7-8-14,16(20)21-3)18-11-5-2/h14-15,18H,4-13H2,1-3H3
InChIKeyATGXWUOMGCTOKT-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
CID 63909759
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The IUPAC name of methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate (CID 63910356) is methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is CCCCN(CC(NCCC)(C(=O)OC)C1CC1)C1CC1.
What is the InChIKey of methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
The InChIKey is ATGXWUOMGCTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-12-19(15-9-10-15)13-17(14-7-8-14,16(20)21-3)18-11-5-2/h14-15,18H,4-13H2,1-3H3.
What are the key properties of methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate?
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate is sourced from PubChem (CID 63910356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).