4-(4-aminopentanoylamino)-2-methoxybenzoic acid

C13H18N2O4 — CID 107208189

IUPAC4-(4-aminopentanoylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(14)3-6-12(16)15-9-4-5-10(13(17)18)11(7-9)19-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUUNUKRQAVXXVHQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds6

About 4-(4-aminopentanoylamino)-2-methoxybenzoic acid

4-(4-aminopentanoylamino)-2-methoxybenzoic acid (PubChem CID 107208189) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)-2-methoxybenzoic acid
PubChem CID107208189
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(4-aminopentanoylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(14)3-6-12(16)15-9-4-5-10(13(17)18)11(7-9)19-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUUNUKRQAVXXVHQ-UHFFFAOYSA-N
XLogP1.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)-2-methoxybenzoic acid?
The IUPAC name of 4-(4-aminopentanoylamino)-2-methoxybenzoic acid (CID 107208189) is 4-(4-aminopentanoylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(4-aminopentanoylamino)-2-methoxybenzoic acid?
The canonical SMILES for 4-(4-aminopentanoylamino)-2-methoxybenzoic acid is COc1cc(NC(=O)CCC(C)N)ccc1C(=O)O.
What is the InChIKey of 4-(4-aminopentanoylamino)-2-methoxybenzoic acid?
The InChIKey is UUNUKRQAVXXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(14)3-6-12(16)15-9-4-5-10(13(17)18)11(7-9)19-2/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-aminopentanoylamino)-2-methoxybenzoic acid?
4-(4-aminopentanoylamino)-2-methoxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 107208189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).