3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid

C11H19NO4 — CID 115730536

IUPAC3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
SMILESCCCOCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-2-7-16-8-10(13)12(9-3-4-9)6-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMUAYLAVHAPQPKK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds8

About 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid

3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid (PubChem CID 115730536) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
PubChem CID115730536
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
SMILESCCCOCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-2-7-16-8-10(13)12(9-3-4-9)6-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMUAYLAVHAPQPKK-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid (CID 115730536) is 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid is CCCOCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid?
The InChIKey is MUAYLAVHAPQPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-7-16-8-10(13)12(9-3-4-9)6-5-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid?
3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 115730536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).