2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid

C17H19NO2 — CID 119134911

IUPAC2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C17H19NO2/c1-12(17(19)20)18(16-8-9-16)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,16H,8-9,11H2,1H3,(H,19,20)
InChIKeyIEEJTBCMZPSBOH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.28
Rot. Bonds5

About 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid

2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid (PubChem CID 119134911) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
PubChem CID119134911
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C17H19NO2/c1-12(17(19)20)18(16-8-9-16)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,16H,8-9,11H2,1H3,(H,19,20)
InChIKeyIEEJTBCMZPSBOH-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
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4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
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(2S)-4-methyl-2-[methylsulfonyl(naphthalen-2-ylmethyl)amino]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid (CID 119134911) is 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid is CC(C(=O)O)N(Cc1ccc2ccccc2c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid?
The InChIKey is IEEJTBCMZPSBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(17(19)20)18(16-8-9-16)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,16H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid?
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 119134911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).