2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid

C17H30N6O9 — CID 146240259

IUPAC2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCCNC(=O)CON
InChIInChI=1S/C17H30N6O9/c1-9(15(28)20-5-4-19-12(24)7-32-18)22-17(30)11(3)23-16(29)10(2)21-13(25)6-31-8-14(26)27/h9-11H,4-8,18H2,1-3H3,(H,19,24)(H,20,28)(H,21,25)(H,22,30)(H,23,29)(H,26,27)
InChIKeyBPSNYKBBZQQQSW-UHFFFAOYSA-N
MW462.46 g/mol
LogP-4.28
Rot. Bonds15

About 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid

2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid (PubChem CID 146240259) has the molecular formula C17H30N6O9 and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid
PubChem CID146240259
Molecular FormulaC17H30N6O9
Molecular Weight462.46 g/mol
Exact Mass462.21
IUPAC Name2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCCNC(=O)CON
InChIInChI=1S/C17H30N6O9/c1-9(15(28)20-5-4-19-12(24)7-32-18)22-17(30)11(3)23-16(29)10(2)21-13(25)6-31-8-14(26)27/h9-11H,4-8,18H2,1-3H3,(H,19,24)(H,20,28)(H,21,25)(H,22,30)(H,23,29)(H,26,27)
InChIKeyBPSNYKBBZQQQSW-UHFFFAOYSA-N
XLogP-4.28
TPSA227.28 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 5-4.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide
CID 145028362
2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid
CID 163570676
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 79254836
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 61403571

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid (CID 146240259) is 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid is CC(NC(=O)COCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCCNC(=O)CON.
What is the InChIKey of 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is BPSNYKBBZQQQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O9/c1-9(15(28)20-5-4-19-12(24)7-32-18)22-17(30)11(3)23-16(29)10(2)21-13(25)6-31-8-14(26)27/h9-11H,4-8,18H2,1-3H3,(H,19,24)(H,20,28)(H,21,25)(H,22,30)(H,23,29)(H,26,27).
What are the key properties of 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 462.46 g/mol, XLogP of -4.28, 15 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 146240259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).