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

C18H21NO3 — CID 119955311

IUPAC2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c1-3-13(2)19(12-18(21)22)17(20)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyZTYREKMAZPVFPD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.09
Rot. Bonds6

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

2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid (PubChem CID 119955311) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
PubChem CID119955311
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c1-3-13(2)19(12-18(21)22)17(20)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyZTYREKMAZPVFPD-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
2-[3-(2-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 119954973
2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
CID 99776369
2-[[2-(4-bromophenyl)acetyl]-butan-2-ylamino]acetic acid
CID 54925961
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
2-[butan-2-yl-[3-(2,3-difluorophenyl)propanoyl]amino]acetic acid
CID 119955243
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid (CID 119955311) is 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid?
The InChIKey is ZTYREKMAZPVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-13(2)19(12-18(21)22)17(20)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid?
2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid is sourced from PubChem (CID 119955311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).