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

C15H28N2O2 — CID 63927458

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
SMILESCCNC(CN1CCCC(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-16-15(14(18)19,13-6-7-13)11-17-9-4-5-12(2)8-10-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWZCNJFPEHXPREJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds6

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

2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid (PubChem CID 63927458) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
PubChem CID63927458
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
SMILESCCNC(CN1CCCC(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-16-15(14(18)19,13-6-7-13)11-17-9-4-5-12(2)8-10-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWZCNJFPEHXPREJ-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
methyl 2-cyclopropyl-2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63927664
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-(ethylamino)-2-methyl-3-(4-methylazepan-1-yl)propan-1-ol
CID 64788999
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
CID 63927012

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid (CID 63927458) is 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid is CCNC(CN1CCCC(C)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid?
The InChIKey is WZCNJFPEHXPREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-15(14(18)19,13-6-7-13)11-17-9-4-5-12(2)8-10-17/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid is sourced from PubChem (CID 63927458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).