(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate

C8H13N2O5- — CID 25203551

IUPAC(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate
SMILESC[C@H]([NH3+])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)/p-1/t4-,5+/m0/s1
InChIKeyVYZAGTDAHUIRQA-CRCLSJGQSA-M
MW217.20 g/mol
LogP-4.62
Rot. Bonds6

About (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate

(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate (PubChem CID 25203551) has the molecular formula C8H13N2O5- and a molecular weight of 217.20 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate
PubChem CID25203551
Molecular FormulaC8H13N2O5-
Molecular Weight217.20 g/mol
Exact Mass217.08
IUPAC Name(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate
SMILESC[C@H]([NH3+])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)/p-1/t4-,5+/m0/s1
InChIKeyVYZAGTDAHUIRQA-CRCLSJGQSA-M
XLogP-4.62
TPSA137.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-4.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-acetyl-L-glutamic acid
CID 70914
N-Acetylaspartylglutamic acid
CID 188803
L-Alanyl-L-Glutamine
CID 123935
N-acetylglutamic acid
CID 185
Alanylglutamic acid
CID 128841
ZY-15106
CID 71120
N-acetyl-L-glutamate(2-)
CID 1549099
Ophthalmic acid
CID 7018721
Glu-Glu
CID 439500
Ile-Glu
CID 18218218
Lysylglutamic acid
CID 7010502
N-Acetyl-alpha-aspartylglutamic acid
CID 5255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate?
The IUPAC name of (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate (CID 25203551) is (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate.
What is the SMILES notation for (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate?
The canonical SMILES for (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate is C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate?
The InChIKey is VYZAGTDAHUIRQA-CRCLSJGQSA-M. 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)/p-1/t4-,5+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate?
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate has a molecular weight of 217.20 g/mol, XLogP of -4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate is sourced from PubChem (CID 25203551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).