5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid

C24H24N2O4 — CID 84568655

IUPAC5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C24H24N2O4/c27-22-11-8-18(14-21(22)24(29)30)25-23(28)12-13-26(19-9-10-19)15-17-6-3-5-16-4-1-2-7-20(16)17/h1-8,11,14,19,27H,9-10,12-13,15H2,(H,25,28)(H,29,30)
InChIKeyBZZRQERJRHKSRQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.24
Rot. Bonds8

About 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid

5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid (PubChem CID 84568655) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
PubChem CID84568655
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C24H24N2O4/c27-22-11-8-18(14-21(22)24(29)30)25-23(28)12-13-26(19-9-10-19)15-17-6-3-5-16-4-1-2-7-20(16)17/h1-8,11,14,19,27H,9-10,12-13,15H2,(H,25,28)(H,29,30)
InChIKeyBZZRQERJRHKSRQ-UHFFFAOYSA-N
XLogP4.24
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
CID 84567246
ethyl 2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-methylthiophene-3-carboxylate
CID 84565010
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid (CID 84568655) is 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid is O=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid?
The InChIKey is BZZRQERJRHKSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-22-11-8-18(14-21(22)24(29)30)25-23(28)12-13-26(19-9-10-19)15-17-6-3-5-16-4-1-2-7-20(16)17/h1-8,11,14,19,27H,9-10,12-13,15H2,(H,25,28)(H,29,30).
What are the key properties of 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid?
5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid has a molecular weight of 404.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 84568655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).