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

C8H14N2O5 — CID 14534790

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1
InChIKeyVYZAGTDAHUIRQA-CRCLSJGQSA-N
MW218.21 g/mol
LogP-1.23
Rot. Bonds6

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

(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid (PubChem CID 14534790) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
PubChem CID14534790
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1
InChIKeyVYZAGTDAHUIRQA-CRCLSJGQSA-N
XLogP-1.23
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid (CID 14534790) is (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid is C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid?
The InChIKey is VYZAGTDAHUIRQA-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid?
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid has a molecular weight of 218.21 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid is sourced from PubChem (CID 14534790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).