2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid

C15H18N2O2 — CID 116942743

IUPAC2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
SMILESCc1ccc2cc(C(N)CC(N)C(=O)O)ccc2c1
InChIInChI=1S/C15H18N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13(16)8-14(17)15(18)19/h2-7,13-14H,8,16-17H2,1H3,(H,18,19)
InChIKeyUFFGUONQCCRZPQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds4

About 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid

2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid (PubChem CID 116942743) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
PubChem CID116942743
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
SMILESCc1ccc2cc(C(N)CC(N)C(=O)O)ccc2c1
InChIInChI=1S/C15H18N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13(16)8-14(17)15(18)19/h2-7,13-14H,8,16-17H2,1H3,(H,18,19)
InChIKeyUFFGUONQCCRZPQ-UHFFFAOYSA-N
XLogP1.95
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990
2,3-dibromo-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 134893575
(2S,4S)-2,4-diamino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 129462959
ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
CID 116863158
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
(2S,5S)-5-(6-methylnaphthalen-2-yl)-4-oxo-2-propan-2-ylhexanoic acid
CID 148906960
3-amino-4-(6-methylnaphthalen-2-yl)-4-oxobutanoic acid
CID 116920774

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid?
The IUPAC name of 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid (CID 116942743) is 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid?
The canonical SMILES for 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid is Cc1ccc2cc(C(N)CC(N)C(=O)O)ccc2c1.
What is the InChIKey of 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid?
The InChIKey is UFFGUONQCCRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13(16)8-14(17)15(18)19/h2-7,13-14H,8,16-17H2,1H3,(H,18,19).
What are the key properties of 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid?
2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 116942743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).