2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid

C8H14N3O5PS — CID 59692232

IUPAC2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CSP
InChIInChI=1S/C8H14N3O5PS/c12-5(2-10-7(14)4-18-17)9-1-6(13)11-3-8(15)16/h1-4,17H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)
InChIKeyQQKNDMMLJUWVAO-UHFFFAOYSA-N
MW295.26 g/mol
LogP-2.06
Rot. Bonds8

About 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 59692232) has the molecular formula C8H14N3O5PS and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID59692232
Molecular FormulaC8H14N3O5PS
Molecular Weight295.26 g/mol
Exact Mass295.04
IUPAC Name2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CSP
InChIInChI=1S/C8H14N3O5PS/c12-5(2-10-7(14)4-18-17)9-1-6(13)11-3-8(15)16/h1-4,17H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)
InChIKeyQQKNDMMLJUWVAO-UHFFFAOYSA-N
XLogP-2.06
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
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CID 43465329
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
CID 23278184
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762
2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422761
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid (CID 59692232) is 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CNC(=O)CSP.
What is the InChIKey of 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is QQKNDMMLJUWVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O5PS/c12-5(2-10-7(14)4-18-17)9-1-6(13)11-3-8(15)16/h1-4,17H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16).
What are the key properties of 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 295.26 g/mol, XLogP of -2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 59692232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).