2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid

C20H19NO2 — CID 44473508

IUPAC2-[benzyl(naphthalen-2-ylmethyl)amino]acetic acid
SMILESC1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)CC(=O)O
InChIInChI=1S/C20H19NO2/c22-20(23)15-21(13-16-6-2-1-3-7-16)14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12H,13-15H2,(H,22,23)
InChIKeyFCIDUHFPXNZFRV-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.80
Rot. Bonds6

About 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid

2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid (PubChem CID 44473508) has the molecular formula C20H19NO2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[benzyl(naphthalen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid
PubChem CID44473508
Molecular FormulaC20H19NO2
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-[benzyl(naphthalen-2-ylmethyl)amino]acetic acid
SMILESC1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)CC(=O)O
InChIInChI=1S/C20H19NO2/c22-20(23)15-21(13-16-6-2-1-3-7-16)14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12H,13-15H2,(H,22,23)
InChIKeyFCIDUHFPXNZFRV-UHFFFAOYSA-N
XLogP1.80
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity378

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6443234
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2-[(2-Naphthylmethyl)(propyl)amino]ethanol
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2-[[10-[(2-Hydroxyethylamino)methyl]anthracen-9-yl]methylamino]ethanol
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2-[[4-(Dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid
CID 68632816
[(r)-4-((r)-Biphenyl-3-yl-phenyl-methyl)-2-methyl-piperazin-1-yl]-acetic acid
CID 23642333
[(R)-2-methyl-4-[(R)-(3'-methyl-biphenyl-4-yl)-phenyl-methyl]-piperazin-1-yl]-acetic acid
CID 25063491
[(R)-2-methyl-4-[(R)-(4'-methyl-biphenyl-4-yl)-phenyl-methyl]-piperazin-1-yl]-acetic acid
CID 68997427
(2R)-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138606928
(E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enoic acid
CID 44274510

Frequently Asked Questions

What is the IUPAC name of 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid (CID 44473508) is 2-[benzyl(naphthalen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid is C1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)CC(=O)O.
What is the InChIKey of 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid?
The InChIKey is FCIDUHFPXNZFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-20(23)15-21(13-16-6-2-1-3-7-16)14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12H,13-15H2,(H,22,23).
What are the key properties of 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid?
2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44473508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).