(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

C20H23NO5 — CID 2756011

IUPAC(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O
InChIInChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-16(11-17(21)18(22)23)25-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16-17H,11-12H2,1-3H3,(H,22,23)/t16-,17-/m0/s1
InChIKeyMUZBVLZKNSSONR-IRXDYDNUSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds3

About (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (PubChem CID 2756011) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
PubChem CID2756011
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O
InChIInChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-16(11-17(21)18(22)23)25-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16-17H,11-12H2,1-3H3,(H,22,23)/t16-,17-/m0/s1
InChIKeyMUZBVLZKNSSONR-IRXDYDNUSA-N
XLogP3.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(4S)-4-[(Naphthalen-2-yl)oxy]-L-proline
CID 12849531
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
CID 12849581
tert-butyl (4S)-2,2-dimethyl-4-(naphthalen-2-yloxymethyl)-1,3-oxazolidine-3-carboxylate
CID 74223263
US9872852, Example 19
CID 117941754
US9872852, Example 51
CID 117941924
US9872852, Example 40
CID 117941976
US9872852, Example 52
CID 117942013
(28,48)-4-((Benzyloxymethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 138374612
ethyl 2-((((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(naphthalen-2-yloxy)acetamido)hexanamido)-3-methylbutanamido)acetamido)-3-hydroxybutanoyl)pyrrolidin-2-yl)methoxy)carbonyl)acetate
CID 16748576
2-[[(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylphenoxy)pyrrolidine-2-carbonyl]amino]acetic acid
CID 127034738
(2S)-3-methyl-2-[[(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylphenoxy)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 127035101
(2S)-4-methyl-2-[[(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylphenoxy)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 127035245

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (CID 2756011) is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is MUZBVLZKNSSONR-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-16(11-17(21)18(22)23)25-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16-17H,11-12H2,1-3H3,(H,22,23)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2756011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).