(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

C14H22N2O6 — CID 71407874

IUPAC(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-11(18)7-5-9(13(20)21)16-12(19)8-4-6-10(17)15-8/h8-9H,4-7H2,1-3H3,(H,15,17)(H,16,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyNAZGLCZSVWUVRS-IUCAKERBSA-N
MW314.34 g/mol
LogP-0.04
Rot. Bonds6

About (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 71407874) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID71407874
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-11(18)7-5-9(13(20)21)16-12(19)8-4-6-10(17)15-8/h8-9H,4-7H2,1-3H3,(H,15,17)(H,16,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyNAZGLCZSVWUVRS-IUCAKERBSA-N
XLogP-0.04
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
5-amino-2-[[5-amino-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid
CID 75097643
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
CID 61144089
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213
(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid;pyrrolidine
CID 131713003
(2R)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 103941043
(2S)-2-[[(2S,7S)-2,7-bis[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]hexanoyl]amino]-8-[[(1S)-1,2-dicarboxyethyl]amino]-8-oxooctanoyl]amino]butanedioic acid
CID 10606274
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid (CID 71407874) is (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O.
What is the InChIKey of (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is NAZGLCZSVWUVRS-IUCAKERBSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-14(2,3)22-11(18)7-5-9(13(20)21)16-12(19)8-4-6-10(17)15-8/h8-9H,4-7H2,1-3H3,(H,15,17)(H,16,19)(H,20,21)/t8-,9-/m0/s1.
What are the key properties of (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid?
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 314.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 71407874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).