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

C20H23NO5 — CID 26192684

IUPAC(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2cccc3ccccc23)C[C@H]1C(=O)O
InChIInChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-14(11-16(21)18(22)23)25-17-10-6-8-13-7-4-5-9-15(13)17/h4-10,14,16H,11-12H2,1-3H3,(H,22,23)/t14-,16-/m0/s1
InChIKeyVRFFYFYANPROIL-HOCLYGCPSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds3

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

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid (PubChem CID 26192684) 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-1-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid
PubChem CID26192684
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2cccc3ccccc23)C[C@H]1C(=O)O
InChIInChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-14(11-16(21)18(22)23)25-17-10-6-8-13-7-4-5-9-15(13)17/h4-10,14,16H,11-12H2,1-3H3,(H,22,23)/t14-,16-/m0/s1
InChIKeyVRFFYFYANPROIL-HOCLYGCPSA-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-1-yloxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(4S)-4-[(Naphthalen-2-yl)oxy]-L-proline
CID 12849531
(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(1-naphthyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid
CID 16076980
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
CID 12849581
4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-4-(naphthalen-1-yloxy)-butyric acid
CID 44331914
(4R)-5-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-naphthalen-1-yloxy-5-oxopentanoic acid
CID 44331915
1-[4-[2-(2-Phenylethyl)phenoxy]butyl]pyrrolidine-2-carboxylic acid
CID 14623717
tert-butyl (4S)-2,2-dimethyl-4-(naphthalen-1-yloxymethyl)-1,3-oxazolidine-3-carboxylate
CID 74223264
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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid (CID 26192684) is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc3ccccc23)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is VRFFYFYANPROIL-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-14(11-16(21)18(22)23)25-17-10-6-8-13-7-4-5-9-15(13)17/h4-10,14,16H,11-12H2,1-3H3,(H,22,23)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-yloxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-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-1-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 26192684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).