3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid

C18H23NO2 — CID 65057116

IUPAC3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13(2)19(12-11-18(20)21)14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyNHXZEBPRKQBASJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.09
Rot. Bonds6

About 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid

3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid (PubChem CID 65057116) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
PubChem CID65057116
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-13(2)19(12-11-18(20)21)14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyNHXZEBPRKQBASJ-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
3-[1-(3-bromophenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65056761
3-naphthalen-1-ylbutanoic acid
CID 43211329
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842

Frequently Asked Questions

What is the IUPAC name of 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid (CID 65057116) is 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(C)c1cccc2ccccc12.
What is the InChIKey of 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid?
The InChIKey is NHXZEBPRKQBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)19(12-11-18(20)21)14(3)16-10-6-8-15-7-4-5-9-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid?
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 65057116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).