2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid

C14H21N3O2 — CID 115545405

IUPAC2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
SMILESNc1c(NCCN2CCCCC2)cccc1C(=O)O
InChIInChI=1S/C14H21N3O2/c15-13-11(14(18)19)5-4-6-12(13)16-7-10-17-8-2-1-3-9-17/h4-6,16H,1-3,7-10,15H2,(H,18,19)
InChIKeyRQOUKUWDZYHHRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid

2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid (PubChem CID 115545405) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
PubChem CID115545405
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
SMILESNc1c(NCCN2CCCCC2)cccc1C(=O)O
InChIInChI=1S/C14H21N3O2/c15-13-11(14(18)19)5-4-6-12(13)16-7-10-17-8-2-1-3-9-17/h4-6,16H,1-3,7-10,15H2,(H,18,19)
InChIKeyRQOUKUWDZYHHRP-UHFFFAOYSA-N
XLogP1.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
3-amino-2-(2-piperidin-1-ylethylamino)benzoic acid
CID 112578505
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
4-[2-(azepan-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79834671
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062
2-amino-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 113411034
2-amino-3-(4-imidazol-1-ylbutylamino)benzoic acid
CID 115545705
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
CID 14320115
2-amino-3-[2-[ethyl(methyl)amino]ethylamino]benzoic acid
CID 115545898

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid?
The IUPAC name of 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid (CID 115545405) is 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid.
What is the SMILES notation for 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid?
The canonical SMILES for 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid is Nc1c(NCCN2CCCCC2)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid?
The InChIKey is RQOUKUWDZYHHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-11(14(18)19)5-4-6-12(13)16-7-10-17-8-2-1-3-9-17/h4-6,16H,1-3,7-10,15H2,(H,18,19).
What are the key properties of 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid?
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid is sourced from PubChem (CID 115545405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).