1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid

C15H20N2O3 — CID 115913919

IUPAC1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCCNCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-9-16-10-13(18)17-12-5-3-11(4-6-12)15(7-8-15)14(19)20/h3-6,16H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRBXRSIIBJNZIIH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds7

About 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid

1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115913919) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID115913919
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCCNCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-9-16-10-13(18)17-12-5-3-11(4-6-12)15(7-8-15)14(19)20/h3-6,16H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRBXRSIIBJNZIIH-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
1-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 115913942
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557940
1-[4-(3,3,3-trifluoropropanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912909
1-[4-(2-methylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557931
1-[4-(4-ethoxybutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912886

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid (CID 115913919) is 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid is CCCNCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is RBXRSIIBJNZIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-9-16-10-13(18)17-12-5-3-11(4-6-12)15(7-8-15)14(19)20/h3-6,16H,2,7-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115913919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).