2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate

C7H13N3O4 — CID 23278182

IUPAC2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate
SMILESCC(NC(=O)C[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C7H13N3O4/c1-4(10-5(11)2-8)7(14)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKeyUGVQELHRNUDMAA-UHFFFAOYSA-N
MW203.20 g/mol
LogP-4.40
Rot. Bonds5

About 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate

2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate (PubChem CID 23278182) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate.

Molecular Properties

Compound Name2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate
PubChem CID23278182
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate
SMILESCC(NC(=O)C[NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C7H13N3O4/c1-4(10-5(11)2-8)7(14)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKeyUGVQELHRNUDMAA-UHFFFAOYSA-N
XLogP-4.40
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-4.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-5-amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoyl]amino]acetate
CID 7020054
2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 139198513
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-hydroxypropanoyl]amino]propanoate
CID 6992442
2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
CID 6992447
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
CID 54222962
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
CID 142118598
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate?
The IUPAC name of 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate (CID 23278182) is 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate.
What is the SMILES notation for 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate?
The canonical SMILES for 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate is CC(NC(=O)C[NH3+])C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate?
The InChIKey is UGVQELHRNUDMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-4(10-5(11)2-8)7(14)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate?
2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate has a molecular weight of 203.20 g/mol, XLogP of -4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate is sourced from PubChem (CID 23278182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).