1-(propanoylamino)cyclopropane-1-carboxylic acid

C7H11NO3 — CID 65453231

IUPAC1-(propanoylamino)cyclopropane-1-carboxylic acid
SMILESCCC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C7H11NO3/c1-2-5(9)8-7(3-4-7)6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZHDQLUQBEQTEPJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds3

About 1-(propanoylamino)cyclopropane-1-carboxylic acid

1-(propanoylamino)cyclopropane-1-carboxylic acid (PubChem CID 65453231) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(propanoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propanoylamino)cyclopropane-1-carboxylic acid
PubChem CID65453231
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-(propanoylamino)cyclopropane-1-carboxylic acid
SMILESCCC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C7H11NO3/c1-2-5(9)8-7(3-4-7)6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZHDQLUQBEQTEPJ-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Malonylamino)cyclopropane-1-carboxylic acid
CID 133503
1-Acetamidocyclopropane-1-carboxylic acid
CID 20431059
N-acetyl-2-methylalanine
CID 233700
1-(2,2,2-Trifluoroacetamido)cyclopropane-1-carboxylic acid
CID 12988800
1-(Methylamino)cyclopropane-1-carboxylic acid
CID 386197
1-(Carbamoylamino)cyclopropane-1-carboxylic acid
CID 55290311
N-trifluoroacetyl-isovaline
CID 129724088
2-Methyl-N-propionylalanine
CID 20132013
N-acetyl-isovaline
CID 71355971
1-[(3,3,3-Trifluoropropanoyl)amino]cyclopropane-carboxylic acid
CID 65450992
2-Methyl-2-(trifluoroacetamido)butanoic acid
CID 79793677
1-[[4-Fluoro-3-(fluoromethyl)-3-methylbutanoyl]amino]cyclopropane-1-carboxylic acid
CID 134421449

Frequently Asked Questions

What is the IUPAC name of 1-(propanoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(propanoylamino)cyclopropane-1-carboxylic acid (CID 65453231) is 1-(propanoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(propanoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(propanoylamino)cyclopropane-1-carboxylic acid is CCC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(propanoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is ZHDQLUQBEQTEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-5(9)8-7(3-4-7)6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 1-(propanoylamino)cyclopropane-1-carboxylic acid?
1-(propanoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propanoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65453231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).