3-[1-cyclopropylethyl(methyl)amino]pentanoic acid

C11H21NO2 — CID 63069500

IUPAC3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-10(7-11(13)14)12(3)8(2)9-5-6-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyUWSUEEKTJZJFIK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

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

3-[1-cyclopropylethyl(methyl)amino]pentanoic acid (PubChem CID 63069500) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
PubChem CID63069500
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)C(C)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-10(7-11(13)14)12(3)8(2)9-5-6-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyUWSUEEKTJZJFIK-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
CID 43569337
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
CID 78844134
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
3-[cyclobutyl(2-methylpropyl)amino]butanoic acid
CID 112709290
3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
2-[1-cyclopropylethyl(propan-2-yl)amino]acetic acid
CID 65057237
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid (CID 63069500) is 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)C(C)C1CC1.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid?
The InChIKey is UWSUEEKTJZJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10(7-11(13)14)12(3)8(2)9-5-6-9/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid?
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 63069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).