2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid

C11H17NO4 — CID 122067112

IUPAC2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
SMILESC=CCOCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-6-16-7-10(13)12(9-4-5-9)8(2)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15)
InChIKeyYUGBDYPSXISOCQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.65
Rot. Bonds7

About 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid

2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid (PubChem CID 122067112) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
PubChem CID122067112
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
SMILESC=CCOCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-6-16-7-10(13)12(9-4-5-9)8(2)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15)
InChIKeyYUGBDYPSXISOCQ-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid
CID 122067475
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
CID 122067557
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[cyclopropyl-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 119202241
2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
CID 122067006
2-[cyclopropyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122067370

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid (CID 122067112) is 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid is C=CCOCC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid?
The InChIKey is YUGBDYPSXISOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-6-16-7-10(13)12(9-4-5-9)8(2)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid?
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 122067112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).