2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid

C13H12N2O3 — CID 164662945

IUPAC2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)O)c2ccccc12
InChIInChI=1S/C13H12N2O3/c14-11-6-5-10(13(18)15-7-12(16)17)8-3-1-2-4-9(8)11/h1-6H,7,14H2,(H,15,18)(H,16,17)
InChIKeyWZDMZQKZDOOUTQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.24
Rot. Bonds3

About 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid

2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid (PubChem CID 164662945) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
PubChem CID164662945
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)O)c2ccccc12
InChIInChI=1S/C13H12N2O3/c14-11-6-5-10(13(18)15-7-12(16)17)8-3-1-2-4-9(8)11/h1-6H,7,14H2,(H,15,18)(H,16,17)
InChIKeyWZDMZQKZDOOUTQ-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
CID 67920315
[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
CID 19844498
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
CID 177151717
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
2-benzamidoacetic acid;hydrofluoride
CID 174760685
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid (CID 164662945) is 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid is Nc1ccc(C(=O)NCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid?
The InChIKey is WZDMZQKZDOOUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-11-6-5-10(13(18)15-7-12(16)17)8-3-1-2-4-9(8)11/h1-6H,7,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid?
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 164662945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).