2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid

C16H17NO2 — CID 116938681

IUPAC2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2cc(C(N)C3CC3C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO2/c1-9-2-3-11-7-12(5-4-10(11)6-9)15(17)13-8-14(13)16(18)19/h2-7,13-15H,8,17H2,1H3,(H,18,19)
InChIKeySXFURTYDSFAORH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds3

About 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid

2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116938681) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116938681
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2cc(C(N)C3CC3C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO2/c1-9-2-3-11-7-12(5-4-10(11)6-9)15(17)13-8-14(13)16(18)19/h2-7,13-15H,8,17H2,1H3,(H,18,19)
InChIKeySXFURTYDSFAORH-UHFFFAOYSA-N
XLogP2.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938659
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
2-[amino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938650
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
CID 116942743
2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
CID 116857198
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990
2,3-dibromo-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 134893575
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid (CID 116938681) is 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid is Cc1ccc2cc(C(N)C3CC3C(=O)O)ccc2c1.
What is the InChIKey of 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SXFURTYDSFAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-2-3-11-7-12(5-4-10(11)6-9)15(17)13-8-14(13)16(18)19/h2-7,13-15H,8,17H2,1H3,(H,18,19).
What are the key properties of 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid?
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116938681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).