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

C9H17NO2 — CID 43420585

IUPAC3-[1-cyclopropylethyl(methyl)amino]propanoic acid
SMILESCC(C1CC1)N(C)CCC(=O)O
InChIInChI=1S/C9H17NO2/c1-7(8-3-4-8)10(2)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyVDBVALUPEVUOLL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds5

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

3-[1-cyclopropylethyl(methyl)amino]propanoic acid (PubChem CID 43420585) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]propanoic acid
PubChem CID43420585
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]propanoic acid
SMILESCC(C1CC1)N(C)CCC(=O)O
InChIInChI=1S/C9H17NO2/c1-7(8-3-4-8)10(2)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyVDBVALUPEVUOLL-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-ethylacetamide
CID 52533893
N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569177
3-[N-(1-cyclohexylethyl)anilino]propanoic acid
CID 65059416
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
CID 63053677
1-cyclopropyl-N-ethyl-N-methylethanamine
CID 126664134
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]propanoic acid (CID 43420585) is 3-[1-cyclopropylethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]propanoic acid is CC(C1CC1)N(C)CCC(=O)O.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]propanoic acid?
The InChIKey is VDBVALUPEVUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(8-3-4-8)10(2)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]propanoic acid?
3-[1-cyclopropylethyl(methyl)amino]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 5 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]propanoic acid is sourced from PubChem (CID 43420585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).