2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid

C16H17NO2 — CID 116857198

IUPAC2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
SMILESCc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO2/c1-10-2-3-12-9-13(5-4-11(12)8-10)15(16(18)19)17-14-6-7-14/h2-5,8-9,14-15,17H,6-7H2,1H3,(H,18,19)
InChIKeyYFJAHHIGVVDPFU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds4

About 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid

2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid (PubChem CID 116857198) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
PubChem CID116857198
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
SMILESCc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO2/c1-10-2-3-12-9-13(5-4-11(12)8-10)15(16(18)19)17-14-6-7-14/h2-5,8-9,14-15,17H,6-7H2,1H3,(H,18,19)
InChIKeyYFJAHHIGVVDPFU-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
CID 82489087
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2,3-dibromo-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 134893575
2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747103
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid (CID 116857198) is 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid is Cc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid?
The InChIKey is YFJAHHIGVVDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-2-3-12-9-13(5-4-11(12)8-10)15(16(18)19)17-14-6-7-14/h2-5,8-9,14-15,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid?
2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid is sourced from PubChem (CID 116857198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).