3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid

C17H24N2O2 — CID 107321063

IUPAC3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCC(N2CCC(N)(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)19-10-9-17(18,11-19)15(20)21/h3-6,14H,7-11,18H2,1-2H3,(H,20,21)
InChIKeyQWWZOHTTZFEYMU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds2

About 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107321063) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID107321063
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCC(N2CCC(N)(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)19-10-9-17(18,11-19)15(20)21/h3-6,14H,7-11,18H2,1-2H3,(H,20,21)
InChIKeyQWWZOHTTZFEYMU-UHFFFAOYSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid (CID 107321063) is 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid is CC1(C)CCC(N2CCC(N)(C(=O)O)C2)c2ccccc21.
What is the InChIKey of 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is QWWZOHTTZFEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2)8-7-14(12-5-3-4-6-13(12)16)19-10-9-17(18,11-19)15(20)21/h3-6,14H,7-11,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).