2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid

C16H31N3O2 — CID 105416902

IUPAC2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CC1(N(C)C)CCC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-5-17-16(14(20)21,13-7-8-13)12-19(4)11-15(18(2)3)9-6-10-15/h13,17H,5-12H2,1-4H3,(H,20,21)
InChIKeyFFRCGMSQRCQWJJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.25
Rot. Bonds9

About 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid

2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid (PubChem CID 105416902) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
PubChem CID105416902
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CC1(N(C)C)CCC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-5-17-16(14(20)21,13-7-8-13)12-19(4)11-15(18(2)3)9-6-10-15/h13,17H,5-12H2,1-4H3,(H,20,21)
InChIKeyFFRCGMSQRCQWJJ-UHFFFAOYSA-N
XLogP1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 63911949
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
CID 63919243
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 105417150
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
CID 63921325
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid (CID 105416902) is 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid is CCNC(CN(C)CC1(N(C)C)CCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid?
The InChIKey is FFRCGMSQRCQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-17-16(14(20)21,13-7-8-13)12-19(4)11-15(18(2)3)9-6-10-15/h13,17H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid?
2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid has a molecular weight of 297.44 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid is sourced from PubChem (CID 105416902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).