3-[cyclopropylmethyl(methyl)amino]pentanoic acid

C10H19NO2 — CID 63067785

IUPAC3-[cyclopropylmethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CC1CC1
InChIInChI=1S/C10H19NO2/c1-3-9(6-10(12)13)11(2)7-8-4-5-8/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMTZLEEBLNLIRIY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds6

About 3-[cyclopropylmethyl(methyl)amino]pentanoic acid

3-[cyclopropylmethyl(methyl)amino]pentanoic acid (PubChem CID 63067785) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]pentanoic acid
PubChem CID63067785
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[cyclopropylmethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CC1CC1
InChIInChI=1S/C10H19NO2/c1-3-9(6-10(12)13)11(2)7-8-4-5-8/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMTZLEEBLNLIRIY-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
CID 63069500
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 126671090
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 126671095
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
CID 62428340
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanethioamide
CID 63236538

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]pentanoic acid (CID 63067785) is 3-[cyclopropylmethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]pentanoic acid?
The InChIKey is MTZLEEBLNLIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(6-10(12)13)11(2)7-8-4-5-8/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]pentanoic acid?
3-[cyclopropylmethyl(methyl)amino]pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 63067785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).