2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid

C13H21NO4 — CID 119202432

IUPAC2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)COC1CCCC1)C1CC1
InChIInChI=1S/C13H21NO4/c1-9(13(16)17)14(10-6-7-10)12(15)8-18-11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyYUMMSCKOFKYTAI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds6

About 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid

2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid (PubChem CID 119202432) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
PubChem CID119202432
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)COC1CCCC1)C1CC1
InChIInChI=1S/C13H21NO4/c1-9(13(16)17)14(10-6-7-10)12(15)8-18-11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyYUMMSCKOFKYTAI-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
CID 122067112
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-(azetidin-3-yloxy)-N-cyclopropyl-N-propan-2-ylacetamide
CID 119728048
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
CID 115729870
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
CID 122067006
2-cyclohexyloxy-N-phenyl-N-propan-2-ylacetamide
CID 86776862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid (CID 119202432) is 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)COC1CCCC1)C1CC1.
What is the InChIKey of 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid?
The InChIKey is YUMMSCKOFKYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(13(16)17)14(10-6-7-10)12(15)8-18-11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid?
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119202432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).