(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid

C11H19N3O6 — CID 174675265

IUPAC(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid
SMILESC=C(C)C(=O)OC(C)CCC(C(N)=O)C(N)=O.O=NO
InChIInChI=1S/C11H18N2O4.HNO2/c1-6(2)11(16)17-7(3)4-5-8(9(12)14)10(13)15;2-1-3/h7-8H,1,4-5H2,2-3H3,(H2,12,14)(H2,13,15);(H,2,3)
InChIKeyUNUNJTSYBPUSMJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.00
Rot. Bonds7

About (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid

(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid (PubChem CID 174675265) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid.

Molecular Properties

Compound Name(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid
PubChem CID174675265
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid
SMILESC=C(C)C(=O)OC(C)CCC(C(N)=O)C(N)=O.O=NO
InChIInChI=1S/C11H18N2O4.HNO2/c1-6(2)11(16)17-7(3)4-5-8(9(12)14)10(13)15;2-1-3/h7-8H,1,4-5H2,2-3H3,(H2,12,14)(H2,13,15);(H,2,3)
InChIKeyUNUNJTSYBPUSMJ-UHFFFAOYSA-N
XLogP0.00
TPSA162.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2-methyl-5-(2-methylprop-2-enoyloxy)hexane-1-sulfonic acid
CID 174599714
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid?
The IUPAC name of (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid (CID 174675265) is (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid.
What is the SMILES notation for (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid?
The canonical SMILES for (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid is C=C(C)C(=O)OC(C)CCC(C(N)=O)C(N)=O.O=NO.
What is the InChIKey of (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid?
The InChIKey is UNUNJTSYBPUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4.HNO2/c1-6(2)11(16)17-7(3)4-5-8(9(12)14)10(13)15;2-1-3/h7-8H,1,4-5H2,2-3H3,(H2,12,14)(H2,13,15);(H,2,3).
What are the key properties of (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid?
(6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid has a molecular weight of 289.29 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-carbamoyl-6-oxohexan-2-yl) 2-methylprop-2-enoate;nitrous acid is sourced from PubChem (CID 174675265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).