2-[(2-amino-3-selanylpropanoyl)amino]acetic acid

C5H10N2O3Se — CID 175250934

IUPAC2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
SMILESNC(C[SeH])C(=O)NCC(=O)O
InChIInChI=1S/C5H10N2O3Se/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
InChIKeyLMKCRKVSYYPQRC-UHFFFAOYSA-N
MW225.11 g/mol
LogP-2.17
Rot. Bonds4

About 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid

2-[(2-amino-3-selanylpropanoyl)amino]acetic acid (PubChem CID 175250934) has the molecular formula C5H10N2O3Se and a molecular weight of 225.11 g/mol. Its IUPAC name is 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
PubChem CID175250934
Molecular FormulaC5H10N2O3Se
Molecular Weight225.11 g/mol
Exact Mass225.99
IUPAC Name2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
SMILESNC(C[SeH])C(=O)NCC(=O)O
InChIInChI=1S/C5H10N2O3Se/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
InChIKeyLMKCRKVSYYPQRC-UHFFFAOYSA-N
XLogP-2.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid;dihydrochloride
CID 127239953
2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
CID 142050600
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341
2-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 122705193
2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
CID 163695583
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
CID 143300236
2-[(2-amino-2-cyclopropylacetyl)amino]acetic acid
CID 89288352
2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
CID 91976170
2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]acetic acid
CID 7019095
2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid;hydrochloride
CID 133113849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid (CID 175250934) is 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid is NC(C[SeH])C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid?
The InChIKey is LMKCRKVSYYPQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3Se/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9).
What are the key properties of 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid?
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid has a molecular weight of 225.11 g/mol, XLogP of -2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-selanylpropanoyl)amino]acetic acid is sourced from PubChem (CID 175250934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).