3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

C10H18N4O6 — CID 147190025

IUPAC3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CNC(=O)CNC(=O)CNCO
InChIInChI=1S/C10H18N4O6/c15-6-11-3-7(16)13-5-9(18)14-4-8(17)12-2-1-10(19)20/h11,15H,1-6H2,(H,12,17)(H,13,16)(H,14,18)(H,19,20)
InChIKeyCBGIUISMQVKMFV-UHFFFAOYSA-N
MW290.28 g/mol
LogP-3.65
Rot. Bonds10

About 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 147190025) has the molecular formula C10H18N4O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
PubChem CID147190025
Molecular FormulaC10H18N4O6
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CNC(=O)CNC(=O)CNCO
InChIInChI=1S/C10H18N4O6/c15-6-11-3-7(16)13-5-9(18)14-4-8(17)12-2-1-10(19)20/h11,15H,1-6H2,(H,12,17)(H,13,16)(H,14,18)(H,19,20)
InChIKeyCBGIUISMQVKMFV-UHFFFAOYSA-N
XLogP-3.65
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 5-3.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 175713469
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
3-[(2-ethylsulfanylacetyl)amino]propanoic acid
CID 117126618
2-(carboxymethylamino)acetic acid
CID 8897
3-[[2-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoylamino]acetyl]amino]propanoic acid
CID 175998260
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
3-(oxaldehydoylamino)propanoic acid
CID 129042205

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (CID 147190025) is 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is O=C(O)CCNC(=O)CNC(=O)CNC(=O)CNCO.
What is the InChIKey of 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is CBGIUISMQVKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O6/c15-6-11-3-7(16)13-5-9(18)14-4-8(17)12-2-1-10(19)20/h11,15H,1-6H2,(H,12,17)(H,13,16)(H,14,18)(H,19,20).
What are the key properties of 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 290.28 g/mol, XLogP of -3.65, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 147190025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).