(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid

C17H18N2O4 — CID 10358265

IUPAC(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)/t14-,17-/m1/s1
InChIKeyQAHGNZYFTSTHIG-RHSMWYFYSA-N
MW314.34 g/mol
LogP1.28
Rot. Bonds4

About (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 10358265) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID10358265
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)/t14-,17-/m1/s1
InChIKeyQAHGNZYFTSTHIG-RHSMWYFYSA-N
XLogP1.28
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid (CID 10358265) is (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid is N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is QAHGNZYFTSTHIG-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)/t14-,17-/m1/s1.
What are the key properties of (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-(naphthalen-1-ylmethyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 10358265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).