[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide

C8H14N4O5 — CID 163147707

IUPAC[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide
SMILESC[C@H](N)C(=O)N[C@@H](COC(=O)C[NH+]=[N-])C(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(9)7(14)12-5(8(15)16)3-17-6(13)2-11-10/h4-5,11H,2-3,9H2,1H3,(H,12,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyMEVGWBANQUFHJV-WHFBIAKZSA-N
MW246.22 g/mol
LogP-3.45
Rot. Bonds7

About [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide

[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide (PubChem CID 163147707) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide.

Molecular Properties

Compound Name[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide
PubChem CID163147707
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide
SMILESC[C@H](N)C(=O)N[C@@H](COC(=O)C[NH+]=[N-])C(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(9)7(14)12-5(8(15)16)3-17-6(13)2-11-10/h4-5,11H,2-3,9H2,1H3,(H,12,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyMEVGWBANQUFHJV-WHFBIAKZSA-N
XLogP-3.45
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-3.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-aminobutanoyloxy)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
CID 71421891
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-phenylpentanoyloxy)propanoic acid
CID 71421892
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-sulfanylbutanoic acid
CID 11148435
2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]-3-hydroxypropanoic acid
CID 18232597
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 175876842
3-acetyloxy-2-[(3-acetyloxy-2-aminopropanoyl)amino]propanoic acid
CID 16718065

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide?
The IUPAC name of [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide (CID 163147707) is [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide.
What is the SMILES notation for [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide?
The canonical SMILES for [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide is C[C@H](N)C(=O)N[C@@H](COC(=O)C[NH+]=[N-])C(=O)O.
What is the InChIKey of [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide?
The InChIKey is MEVGWBANQUFHJV-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H14N4O5/c1-4(9)7(14)12-5(8(15)16)3-17-6(13)2-11-10/h4-5,11H,2-3,9H2,1H3,(H,12,14)(H,15,16)/t4-,5-/m0/s1.
What are the key properties of [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide?
[2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide has a molecular weight of 246.22 g/mol, XLogP of -3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-carboxyethoxy]-2-oxoethyl]azaniumylideneazanide is sourced from PubChem (CID 163147707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).