(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid

C10H16N2O10S — CID 73212695

IUPAC(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
InChIKeyVLYWUCXOEFVQPS-WDSKDSINSA-N
MW356.31 g/mol
LogP-1.95
Rot. Bonds12

About (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid

(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid (PubChem CID 73212695) has the molecular formula C10H16N2O10S and a molecular weight of 356.31 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid
PubChem CID73212695
Molecular FormulaC10H16N2O10S
Molecular Weight356.31 g/mol
Exact Mass356.05
IUPAC Name(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
InChIKeyVLYWUCXOEFVQPS-WDSKDSINSA-N
XLogP-1.95
TPSA207.40 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.31
LogP ≤ 5-1.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 33032
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CID 88747398
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Ammonium glutamate
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Calcium diglutamate
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Magnesium L-glutamate tetrahydrate
CID 71311557
DL-Glutamic acid monohydrate
CID 16219385
Npc202600
CID 5147171
CID 57397101
CID 57397101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid (CID 73212695) is (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid is O=C(O)CC[C@H](NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid?
The InChIKey is VLYWUCXOEFVQPS-WDSKDSINSA-N. The full InChI is InChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid?
(2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid has a molecular weight of 356.31 g/mol, XLogP of -1.95, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1,3-dicarboxypropyl]sulfamoylamino]pentanedioic acid is sourced from PubChem (CID 73212695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).