4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid

C13H17N3O5 — CID 106238737

IUPAC4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid
SMILESNC(=O)CCCCNC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C13H17N3O5/c14-11(18)3-1-2-6-15-13(21)16-9-5-4-8(12(19)20)7-10(9)17/h4-5,7,17H,1-3,6H2,(H2,14,18)(H,19,20)(H2,15,16,21)
InChIKeyVZNFFRKTMZBWGA-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.87
Rot. Bonds7

About 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid

4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid (PubChem CID 106238737) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid
PubChem CID106238737
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid
SMILESNC(=O)CCCCNC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C13H17N3O5/c14-11(18)3-1-2-6-15-13(21)16-9-5-4-8(12(19)20)7-10(9)17/h4-5,7,17H,1-3,6H2,(H2,14,18)(H,19,20)(H2,15,16,21)
InChIKeyVZNFFRKTMZBWGA-UHFFFAOYSA-N
XLogP0.87
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-4-oxobutyl)carbamoylamino]-4-bromobenzoic acid
CID 107814007
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]-3-hydroxybenzoic acid
CID 106239371
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
2-[(4-amino-4-oxobutyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61406098
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181802
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
CID 106239093
3-hydroxy-4-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
CID 61201369
2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
4-(2-but-3-enoxyethylcarbamoylamino)-3-hydroxybenzoic acid
CID 106404872
3-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]benzoic acid
CID 106238853
2-[(4-amino-4-oxobutyl)carbamoylamino]-4-fluorobenzoic acid
CID 61205129
3-amino-4-[(4-amino-4-oxobutyl)amino]benzoic acid
CID 54888280

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid (CID 106238737) is 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid is NC(=O)CCCCNC(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid?
The InChIKey is VZNFFRKTMZBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c14-11(18)3-1-2-6-15-13(21)16-9-5-4-8(12(19)20)7-10(9)17/h4-5,7,17H,1-3,6H2,(H2,14,18)(H,19,20)(H2,15,16,21).
What are the key properties of 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid?
4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid is sourced from PubChem (CID 106238737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).