4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid

C18H21NO3 — CID 18070230

IUPAC4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H21NO3/c1-12(2)9-16(18(21)22)19-17(20)11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPFOHAOMVQLVJY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.00
Rot. Bonds6

About 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid

4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid (PubChem CID 18070230) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
PubChem CID18070230
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H21NO3/c1-12(2)9-16(18(21)22)19-17(20)11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPFOHAOMVQLVJY-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
(2S)-4-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pentanoic acid
CID 119361872
(2R)-2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119363039
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid (CID 18070230) is 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid is CC(C)CC(NC(=O)Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid?
The InChIKey is UPFOHAOMVQLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)9-16(18(21)22)19-17(20)11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid?
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 18070230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).