(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid

C10H14N2O6 — CID 70530537

IUPAC(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C10H14N2O6/c13-7-3-1-5(11-7)9(16)12-6(10(17)18)2-4-8(14)15/h5-6H,1-4H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,6-/m0/s1
InChIKeyYRUFRJRFQFBNQR-WDSKDSINSA-N
MW258.23 g/mol
LogP-1.30
Rot. Bonds6

About (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid

(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid (PubChem CID 70530537) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
PubChem CID70530537
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C10H14N2O6/c13-7-3-1-5(11-7)9(16)12-6(10(17)18)2-4-8(14)15/h5-6H,1-4H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,6-/m0/s1
InChIKeyYRUFRJRFQFBNQR-WDSKDSINSA-N
XLogP-1.30
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[[5-amino-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid
CID 75097643
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 71407874
(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
5-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 57255275
(2S)-6-amino-2-[[8-[[(1S)-5-amino-1-carboxypentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-5-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-8-oxooctanoyl]amino]hexanoic acid
CID 58753135
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 7039229
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771
(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid;pyrrolidine
CID 131713003
(3S)-4-oxo-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 173316807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid (CID 70530537) is (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid?
The InChIKey is YRUFRJRFQFBNQR-WDSKDSINSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-7-3-1-5(11-7)9(16)12-6(10(17)18)2-4-8(14)15/h5-6H,1-4H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid?
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid has a molecular weight of 258.23 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 70530537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).