3-[cyclopropyl(3-methylbutyl)amino]propanoic acid

C11H21NO2 — CID 60839527

IUPAC3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)5-7-12(10-3-4-10)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLJRVMTALPOOMDN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds7

About 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid

3-[cyclopropyl(3-methylbutyl)amino]propanoic acid (PubChem CID 60839527) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
PubChem CID60839527
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-9(2)5-7-12(10-3-4-10)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLJRVMTALPOOMDN-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839878
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60839716
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid (CID 60839527) is 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid is CC(C)CCN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid?
The InChIKey is LJRVMTALPOOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)5-7-12(10-3-4-10)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid?
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)amino]propanoic acid is sourced from PubChem (CID 60839527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).