2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid

C12H21NO4 — CID 119203177

IUPAC2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
SMILESCCOCCCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-17-8-4-5-11(14)13(10-6-7-10)9(2)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXRQCOEXALJRVTG-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds8

About 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid

2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid (PubChem CID 119203177) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
PubChem CID119203177
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
SMILESCCOCCCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-17-8-4-5-11(14)13(10-6-7-10)9(2)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXRQCOEXALJRVTG-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
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

2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
CID 122067557
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
CID 120686387
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
CID 122067112
2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
CID 119202829
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202639
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid (CID 119203177) is 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid is CCOCCCC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid?
The InChIKey is XRQCOEXALJRVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-8-4-5-11(14)13(10-6-7-10)9(2)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid?
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid is sourced from PubChem (CID 119203177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).