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

C20H24N2O4 — CID 119955196

IUPAC2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c1-3-14(2)22(13-20(25)26)19(24)12-21-18(23)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11-13H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyDPWISDWILQYQSX-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.21
Rot. Bonds8

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

2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid (PubChem CID 119955196) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
PubChem CID119955196
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H24N2O4/c1-3-14(2)22(13-20(25)26)19(24)12-21-18(23)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11-13H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyDPWISDWILQYQSX-UHFFFAOYSA-N
XLogP2.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
CID 119955311
2-[2-methoxyethyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119189085
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46580634
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid (CID 119955196) is 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
The InChIKey is DPWISDWILQYQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-14(2)22(13-20(25)26)19(24)12-21-18(23)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11-13H2,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid?
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 119955196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).