methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate

C14H27N3O2 — CID 63635593

IUPACmethyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
SMILESCCN1CCN(CC(NC2CC2)C(=O)OC)CC1C
InChIInChI=1S/C14H27N3O2/c1-4-17-8-7-16(9-11(17)2)10-13(14(18)19-3)15-12-5-6-12/h11-13,15H,4-10H2,1-3H3
InChIKeyCPNHDOLMKKKDOW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds6

About methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate

methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate (PubChem CID 63635593) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
PubChem CID63635593
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
SMILESCCN1CCN(CC(NC2CC2)C(=O)OC)CC1C
InChIInChI=1S/C14H27N3O2/c1-4-17-8-7-16(9-11(17)2)10-13(14(18)19-3)15-12-5-6-12/h11-13,15H,4-10H2,1-3H3
InChIKeyCPNHDOLMKKKDOW-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
methyl 2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoate
CID 114083688
ethyl 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(cyclopropylamino)propanoate
CID 63151346
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
CID 63604012
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate (CID 63635593) is methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate is CCN1CCN(CC(NC2CC2)C(=O)OC)CC1C.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate?
The InChIKey is CPNHDOLMKKKDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-17-8-7-16(9-11(17)2)10-13(14(18)19-3)15-12-5-6-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate?
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate has a molecular weight of 269.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 63635593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).