2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid

C14H15N3O5S — CID 67920315

IUPAC2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESNc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c2ccccc12
InChIInChI=1S/C14H15N3O5S/c15-11-5-6-12(10-4-2-1-3-9(10)11)23(21,22)17-7-13(18)16-8-14(19)20/h1-6,17H,7-8,15H2,(H,16,18)(H,19,20)
InChIKeySMWIHUQCAXCCJL-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.10
Rot. Bonds6

About 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 67920315) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID67920315
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESNc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c2ccccc12
InChIInChI=1S/C14H15N3O5S/c15-11-5-6-12(10-4-2-1-3-9(10)11)23(21,22)17-7-13(18)16-8-14(19)20/h1-6,17H,7-8,15H2,(H,16,18)(H,19,20)
InChIKeySMWIHUQCAXCCJL-UHFFFAOYSA-N
XLogP-0.10
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
CID 174606445
2-[(1-bromonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457724
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
CID 68798786
4-aminonaphthalene-1-sulfonic acid
CID 6790
2-[[2-[(2-chloro-4-cyanophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103988510
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid (CID 67920315) is 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid is Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is SMWIHUQCAXCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c15-11-5-6-12(10-4-2-1-3-9(10)11)23(21,22)17-7-13(18)16-8-14(19)20/h1-6,17H,7-8,15H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 337.36 g/mol, XLogP of -0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 67920315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).