3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid

C16H30N2O2 — CID 63916273

IUPAC3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-17-16(15(19)20,14-9-10-14)12-18(2)11-13-7-5-4-6-8-13/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyZZBCDSYVNLHWGL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds8

About 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid

3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid (PubChem CID 63916273) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
PubChem CID63916273
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CC1CCCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-17-16(15(19)20,14-9-10-14)12-18(2)11-13-7-5-4-6-8-13/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyZZBCDSYVNLHWGL-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
CID 105416902
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide
CID 63925000
2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 63911949
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid (CID 63916273) is 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid is CCNC(CN(C)CC1CCCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid?
The InChIKey is ZZBCDSYVNLHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-17-16(15(19)20,14-9-10-14)12-18(2)11-13-7-5-4-6-8-13/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid?
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid is sourced from PubChem (CID 63916273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).