2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid

C14H27N3O2 — CID 63905754

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCNC(CN1CCN(CC)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-14(13(18)19,12-5-6-12)11-17-9-7-16(4-2)8-10-17/h12,15H,3-11H2,1-2H3,(H,18,19)
InChIKeyMQQHTPDMFLEMQB-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.47
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid (PubChem CID 63905754) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
PubChem CID63905754
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCNC(CN1CCN(CC)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-14(13(18)19,12-5-6-12)11-17-9-7-16(4-2)8-10-17/h12,15H,3-11H2,1-2H3,(H,18,19)
InChIKeyMQQHTPDMFLEMQB-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63907433
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 63911898
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid (CID 63905754) is 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid is CCNC(CN1CCN(CC)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid?
The InChIKey is MQQHTPDMFLEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-15-14(13(18)19,12-5-6-12)11-17-9-7-16(4-2)8-10-17/h12,15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).