2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid

C16H16N2O4 — CID 108797411

IUPAC2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14(17-9-15(20)18-10-16(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyDELMXVGOSVEBDC-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.70
Rot. Bonds6

About 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid (PubChem CID 108797411) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
PubChem CID108797411
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14(17-9-15(20)18-10-16(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyDELMXVGOSVEBDC-UHFFFAOYSA-N
XLogP0.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
CID 134594660
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid (CID 108797411) is 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The InChIKey is DELMXVGOSVEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14(17-9-15(20)18-10-16(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 108797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).