3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid

C11H21NO3 — CID 106204336

IUPAC3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COCCC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-6-12-10(11(13)14)8-15-7-5-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyGSPVRHBRBWGNMN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds9

About 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid

3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid (PubChem CID 106204336) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
PubChem CID106204336
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COCCC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-2-6-12-10(11(13)14)8-15-7-5-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyGSPVRHBRBWGNMN-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopropylethoxy)-2-(propylamino)propan-1-ol
CID 106206742
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
CID 106204662
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
methyl 3-(2-cyclopropylethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174865051
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
CID 63558901
3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521842
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid?
The IUPAC name of 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid (CID 106204336) is 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid is CCCNC(COCCC1CC1)C(=O)O.
What is the InChIKey of 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid?
The InChIKey is GSPVRHBRBWGNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-6-12-10(11(13)14)8-15-7-5-9-3-4-9/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid?
3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid is sourced from PubChem (CID 106204336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).