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

C11H20N2O4 — CID 43447310

IUPAC6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCC(C)N(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)13(3)11(17)12-9(14)6-4-5-7-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyQWVPOBIJNOWVRX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.21
Rot. Bonds6

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

6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 43447310) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID43447310
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCC(C)N(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)13(3)11(17)12-9(14)6-4-5-7-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyQWVPOBIJNOWVRX-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 63228435
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 112661372
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43296183
5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 63959613
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447313
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid (CID 43447310) is 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid is CC(C)N(C)C(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is QWVPOBIJNOWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)13(3)11(17)12-9(14)6-4-5-7-10(15)16/h8H,4-7H2,1-3H3,(H,15,16)(H,12,14,17).
What are the key properties of 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).