2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid

C16H31N3O2 — CID 63927663

IUPAC2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-8-17-16(15(20)21,14-6-7-14)12-18-9-10-19(5-2)13(3)11-18/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyFTJVBTOBTDLDHC-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.25
Rot. Bonds8

About 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid

2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid (PubChem CID 63927663) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
PubChem CID63927663
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-8-17-16(15(20)21,14-6-7-14)12-18-9-10-19(5-2)13(3)11-18/h13-14,17H,4-12H2,1-3H3,(H,20,21)
InChIKeyFTJVBTOBTDLDHC-UHFFFAOYSA-N
XLogP1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63910372
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64788433
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid (CID 63927663) is 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid is CCCNC(CN1CCN(CC)C(C)C1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid?
The InChIKey is FTJVBTOBTDLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-8-17-16(15(20)21,14-6-7-14)12-18-9-10-19(5-2)13(3)11-18/h13-14,17H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid?
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid has a molecular weight of 297.44 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid is sourced from PubChem (CID 63927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).