6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid

C12H22N2O5 — CID 61452796

IUPAC6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCOCC(C)N(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(8-19-3)14(2)12(18)13-10(15)6-4-5-7-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H,13,15,18)
InChIKeyMUDZUOKYXUABTC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.83
Rot. Bonds8

About 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid

6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 61452796) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID61452796
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCOCC(C)N(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(8-19-3)14(2)12(18)13-10(15)6-4-5-7-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H,13,15,18)
InChIKeyMUDZUOKYXUABTC-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
6-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 63228435
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 112661372
6-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 65048210
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964

Frequently Asked Questions

What is the IUPAC name of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid (CID 61452796) is 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid is COCC(C)N(C)C(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is MUDZUOKYXUABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(8-19-3)14(2)12(18)13-10(15)6-4-5-7-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H,13,15,18).
What are the key properties of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 61452796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).