3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid

C8H15NO2 — CID 43538764

IUPAC3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)5-9(2)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRXGNNLLKXMYEMG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds4

About 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid

3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 43538764) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
PubChem CID43538764
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)5-9(2)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRXGNNLLKXMYEMG-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669
2-methyl-3-[methyl-[4-(methylamino)cyclohexyl]amino]propanoic acid
CID 79110399
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
CID 106821073
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
3-[(1,5-dimethylpyrrolidin-3-yl)-methylamino]-2-methylpropanoic acid
CID 81467656
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid (CID 43538764) is 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is RXGNNLLKXMYEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11)5-9(2)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 43538764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).