6-[(2-aminophenyl)carbamoylamino]hexanoic acid

C13H19N3O3 — CID 61404398

IUPAC6-[(2-aminophenyl)carbamoylamino]hexanoic acid
SMILESNc1ccccc1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H19N3O3/c14-10-6-3-4-7-11(10)16-13(19)15-9-5-1-2-8-12(17)18/h3-4,6-7H,1-2,5,8-9,14H2,(H,17,18)(H2,15,16,19)
InChIKeyBICUKLPRZCQRCN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds7

About 6-[(2-aminophenyl)carbamoylamino]hexanoic acid

6-[(2-aminophenyl)carbamoylamino]hexanoic acid (PubChem CID 61404398) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[(2-aminophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-aminophenyl)carbamoylamino]hexanoic acid
PubChem CID61404398
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[(2-aminophenyl)carbamoylamino]hexanoic acid
SMILESNc1ccccc1NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H19N3O3/c14-10-6-3-4-7-11(10)16-13(19)15-9-5-1-2-8-12(17)18/h3-4,6-7H,1-2,5,8-9,14H2,(H,17,18)(H2,15,16,19)
InChIKeyBICUKLPRZCQRCN-UHFFFAOYSA-N
XLogP2.04
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-nonylurea
CID 177454724
12-[[5-(11-carboxyundecylcarbamoylamino)naphthalen-1-yl]carbamoylamino]dodecanoic acid
CID 132504910
8-[(2-nitrophenyl)carbamoylamino]octanoic acid
CID 15858542
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
1-(2-aminophenyl)-3-benzylurea
CID 86135193
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
7-[(2,6-dibromophenyl)carbamoylamino]heptanoic acid
CID 107601826
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(2-aminophenyl)carbamoylamino]hexanoic acid (CID 61404398) is 6-[(2-aminophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(2-aminophenyl)carbamoylamino]hexanoic acid is Nc1ccccc1NC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The InChIKey is BICUKLPRZCQRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-10-6-3-4-7-11(10)16-13(19)15-9-5-1-2-8-12(17)18/h3-4,6-7H,1-2,5,8-9,14H2,(H,17,18)(H2,15,16,19).
What are the key properties of 6-[(2-aminophenyl)carbamoylamino]hexanoic acid?
6-[(2-aminophenyl)carbamoylamino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61404398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).