(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid

C8H13NO6 — CID 170835683

IUPAC(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
SMILESC[C@@H](O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c1-4(10)7(13)9-5(8(14)15)2-3-6(11)12/h4-5,10H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)/t4-,5+/m1/s1
InChIKeyNAOMOQZOYKZXAQ-UHNVWZDZSA-N
MW219.19 g/mol
LogP-1.20
Rot. Bonds6

About (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid

(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid (PubChem CID 170835683) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
PubChem CID170835683
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
SMILESC[C@@H](O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c1-4(10)7(13)9-5(8(14)15)2-3-6(11)12/h4-5,10H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)/t4-,5+/m1/s1
InChIKeyNAOMOQZOYKZXAQ-UHNVWZDZSA-N
XLogP-1.20
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
2-[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]propanoylamino]pentanedioic acid
CID 18745102
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
CID 124797786
(2R)-2-acetamidopentanedioic acid
CID 161394708
(2S)-2-(2-methylheptanoylamino)pentanedioic acid
CID 90258188
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18747158
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid (CID 170835683) is (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid is C[C@@H](O)C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid?
The InChIKey is NAOMOQZOYKZXAQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H13NO6/c1-4(10)7(13)9-5(8(14)15)2-3-6(11)12/h4-5,10H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid?
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid has a molecular weight of 219.19 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid is sourced from PubChem (CID 170835683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).