5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid

C14H16N2O5 — CID 61160112

IUPAC5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
SMILESO=C(CCNC1CC1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c17-12(3-4-15-10-1-2-10)16-11-6-8(13(18)19)5-9(7-11)14(20)21/h5-7,10,15H,1-4H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyVDCPGGRGLFHKPG-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.16
Rot. Bonds7

About 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid

5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid (PubChem CID 61160112) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
PubChem CID61160112
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
SMILESO=C(CCNC1CC1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c17-12(3-4-15-10-1-2-10)16-11-6-8(13(18)19)5-9(7-11)14(20)21/h5-7,10,15H,1-4H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyVDCPGGRGLFHKPG-UHFFFAOYSA-N
XLogP1.16
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
(E)-3-[4-[3-(cyclopropylamino)propanoylamino]phenyl]prop-2-enoic acid
CID 115342324
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 123380111

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid (CID 61160112) is 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid is O=C(CCNC1CC1)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid?
The InChIKey is VDCPGGRGLFHKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(3-4-15-10-1-2-10)16-11-6-8(13(18)19)5-9(7-11)14(20)21/h5-7,10,15H,1-4H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid?
5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 61160112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).