4-(3-aminopentanoylamino)-2-methoxybenzoic acid

C13H18N2O4 — CID 107208106

IUPAC4-(3-aminopentanoylamino)-2-methoxybenzoic acid
SMILESCCC(N)CC(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-8(14)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)
InChIKeyBCXPNDVLVGKMOY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds6

About 4-(3-aminopentanoylamino)-2-methoxybenzoic acid

4-(3-aminopentanoylamino)-2-methoxybenzoic acid (PubChem CID 107208106) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3-aminopentanoylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3-aminopentanoylamino)-2-methoxybenzoic acid
PubChem CID107208106
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(3-aminopentanoylamino)-2-methoxybenzoic acid
SMILESCCC(N)CC(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-8(14)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)
InChIKeyBCXPNDVLVGKMOY-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

4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
3-amino-N-phenylpentanamide
CID 79006475
2-methoxy-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 107208127
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopentanoylamino)-2-methoxybenzoic acid?
The IUPAC name of 4-(3-aminopentanoylamino)-2-methoxybenzoic acid (CID 107208106) is 4-(3-aminopentanoylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3-aminopentanoylamino)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3-aminopentanoylamino)-2-methoxybenzoic acid is CCC(N)CC(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-(3-aminopentanoylamino)-2-methoxybenzoic acid?
The InChIKey is BCXPNDVLVGKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-8(14)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-(3-aminopentanoylamino)-2-methoxybenzoic acid?
4-(3-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-(3-aminopentanoylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 107208106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).