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

C18H23NO2 — CID 22928341

IUPAC4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-13(2)10-17(18(20)21)19(3)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,10,12H2,1-3H3,(H,20,21)
InChIKeyOOQBYPQAMKHKCP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds6

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

4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid (PubChem CID 22928341) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
PubChem CID22928341
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-13(2)10-17(18(20)21)19(3)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,10,12H2,1-3H3,(H,20,21)
InChIKeyOOQBYPQAMKHKCP-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-[methylsulfonyl(naphthalen-2-ylmethyl)amino]pentanoic acid
CID 69327964
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435
(2S)-2-[(4-bromophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70068903
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-methylpentanoic acid
CID 136550093
4-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]pentanoic acid
CID 70068790
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067547
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid (CID 22928341) is 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid is CC(C)CC(C(=O)O)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid?
The InChIKey is OOQBYPQAMKHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)10-17(18(20)21)19(3)12-14-8-9-15-6-4-5-7-16(15)11-14/h4-9,11,13,17H,10,12H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid?
4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 22928341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).