2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid

C16H25N5O6 — CID 15332173

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)18-8-9-21(10-14(24)25)13(23)6-7-17-11-4-5-12(22)20-19-11/h4-5H,6-10H2,1-3H3,(H,17,19)(H,18,26)(H,20,22)(H,24,25)
InChIKeyIUWJORJOOSLYSL-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.01
Rot. Bonds9

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid (PubChem CID 15332173) has the molecular formula C16H25N5O6 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid
PubChem CID15332173
Molecular FormulaC16H25N5O6
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)CCNc1ccc(=O)[nH]n1
InChIInChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)18-8-9-21(10-14(24)25)13(23)6-7-17-11-4-5-12(22)20-19-11/h4-5H,6-10H2,1-3H3,(H,17,19)(H,18,26)(H,20,22)(H,24,25)
InChIKeyIUWJORJOOSLYSL-UHFFFAOYSA-N
XLogP0.01
TPSA153.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-(7-methyl-2-oxo-1H-1,8-naphthyridin-3-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 22987124
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
tert-butyl N-[5-[[6-(methylamino)-3-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]-2-pyridinyl]amino]pentyl]carbamate
CID 178071195
ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 86595832
tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
CID 108920072
tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
CID 108918758
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[2-[4-(phenylmethoxycarbonylamino)pyrazolo[3,4-d]pyrimidin-2-yl]acetyl]amino]acetic acid
CID 11989207
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
(2S)-5-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 59366705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid (CID 15332173) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid is CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)CCNc1ccc(=O)[nH]n1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid?
The InChIKey is IUWJORJOOSLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)18-8-9-21(10-14(24)25)13(23)6-7-17-11-4-5-12(22)20-19-11/h4-5H,6-10H2,1-3H3,(H,17,19)(H,18,26)(H,20,22)(H,24,25).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid has a molecular weight of 383.41 g/mol, XLogP of 0.01, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 15332173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).