2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid

C11H18N4O7 — CID 175851403

IUPAC2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
SMILESCC(=O)NCC(=O)NCC(=O)NCC(=O)NCOCC(=O)O
InChIInChI=1S/C11H18N4O7/c1-7(16)12-2-8(17)13-3-9(18)14-4-10(19)15-6-22-5-11(20)21/h2-6H2,1H3,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21)
InChIKeyXATOOCYCGTUFSA-UHFFFAOYSA-N
MW318.29 g/mol
LogP-3.47
Rot. Bonds10

About 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid

2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid (PubChem CID 175851403) has the molecular formula C11H18N4O7 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
PubChem CID175851403
Molecular FormulaC11H18N4O7
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
SMILESCC(=O)NCC(=O)NCC(=O)NCC(=O)NCOCC(=O)O
InChIInChI=1S/C11H18N4O7/c1-7(16)12-2-8(17)13-3-9(18)14-4-10(19)15-6-22-5-11(20)21/h2-6H2,1H3,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21)
InChIKeyXATOOCYCGTUFSA-UHFFFAOYSA-N
XLogP-3.47
TPSA162.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-3.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2-acetamidoacetyl)amino]methyl acetate
CID 126495792
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363
N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
CID 170712620
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-(ethylaminomethoxy)acetic acid
CID 59628102
6-[(2-acetamidoacetyl)amino]hexanoic acid
CID 24693828
2-[[2-[(2-acetamidoacetyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 119198762
methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
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-acetamidoacetyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 119195503
2-[[[2-[[3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]methoxy]acetic acid
CID 170314630

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid?
The IUPAC name of 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid (CID 175851403) is 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid.
What is the SMILES notation for 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid?
The canonical SMILES for 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid is CC(=O)NCC(=O)NCC(=O)NCC(=O)NCOCC(=O)O.
What is the InChIKey of 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid?
The InChIKey is XATOOCYCGTUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O7/c1-7(16)12-2-8(17)13-3-9(18)14-4-10(19)15-6-22-5-11(20)21/h2-6H2,1H3,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21).
What are the key properties of 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid?
2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid has a molecular weight of 318.29 g/mol, XLogP of -3.47, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid is sourced from PubChem (CID 175851403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).