2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid

C11H21NO2 — CID 43569337

IUPAC2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C11H21NO2/c1-7(2)10(11(13)14)12(4)8(3)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyRASUNTWIEREJLM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid

2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid (PubChem CID 43569337) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
PubChem CID43569337
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C11H21NO2/c1-7(2)10(11(13)14)12(4)8(3)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyRASUNTWIEREJLM-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
CID 63069500
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782964
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
1-(1-cyclopropylethyl)-1-methylurea
CID 43420591
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61202887
tert-butyl 2-[1-cyclopropylethyl(methyl)amino]propanoate
CID 64689346
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
N-[(1R)-1-cyclopropylethyl]-N-methylcyclopropanecarboxamide
CID 52519617

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid (CID 43569337) is 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(C)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid?
The InChIKey is RASUNTWIEREJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)10(11(13)14)12(4)8(3)9-5-6-9/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid?
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 43569337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).