4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid

C13H26N2O2 — CID 63955268

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
SMILESCCNC(C)(CCN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-14-13(3,12(16)17)8-9-15(5-2)10-11-6-7-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFZHSWTSKHHZSOO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.56
Rot. Bonds9

About 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid

4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid (PubChem CID 63955268) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
PubChem CID63955268
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
SMILESCCNC(C)(CCN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-14-13(3,12(16)17)8-9-15(5-2)10-11-6-7-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFZHSWTSKHHZSOO-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid (CID 63955268) is 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid is CCNC(C)(CCN(CC)CC1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid?
The InChIKey is FZHSWTSKHHZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14-13(3,12(16)17)8-9-15(5-2)10-11-6-7-11/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid?
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 63955268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).