3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid

C13H17N3O5 — CID 106239093

IUPAC3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
SMILESNC(=O)CCCCNC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C13H17N3O5/c14-10(17)6-1-2-7-15-13(21)16-9-5-3-4-8(11(9)18)12(19)20/h3-5,18H,1-2,6-7H2,(H2,14,17)(H,19,20)(H2,15,16,21)
InChIKeyDHDPKRBQRHDSQS-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.87
Rot. Bonds7

About 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid

3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid (PubChem CID 106239093) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
PubChem CID106239093
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
SMILESNC(=O)CCCCNC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C13H17N3O5/c14-10(17)6-1-2-7-15-13(21)16-9-5-3-4-8(11(9)18)12(19)20/h3-5,18H,1-2,6-7H2,(H2,14,17)(H,19,20)(H2,15,16,21)
InChIKeyDHDPKRBQRHDSQS-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

2-[(4-amino-4-oxobutyl)carbamoylamino]benzoic acid
CID 61204569
3-(2-aminoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833565
2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbenzoic acid
CID 106238863
2-[(4-amino-4-oxobutyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61406098
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
4-[(5-amino-5-oxopentyl)carbamoylamino]-3-hydroxybenzoic acid
CID 106238737
2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 113458472
2-hydroxy-3-(2-prop-2-enylsulfanylethylcarbamoylamino)benzoic acid
CID 106430779
3-(3-aminopropylcarbamoylamino)-2-methylbenzoic acid
CID 62947767
3-(2-but-3-enoxyethylcarbamoylamino)-2-hydroxybenzoic acid
CID 106405133
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
2-[(4-amino-4-oxobutyl)carbamoylamino]-4-fluorobenzoic acid
CID 61205129

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid (CID 106239093) is 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid is NC(=O)CCCCNC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid?
The InChIKey is DHDPKRBQRHDSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c14-10(17)6-1-2-7-15-13(21)16-9-5-3-4-8(11(9)18)12(19)20/h3-5,18H,1-2,6-7H2,(H2,14,17)(H,19,20)(H2,15,16,21).
What are the key properties of 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid?
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-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 3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 106239093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).