6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid

C12H24N2O3 — CID 61196248

IUPAC6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CN(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(2)9-14(3)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRZXCPQSCGLIBBB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds8

About 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid

6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid (PubChem CID 61196248) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
PubChem CID61196248
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CN(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(2)9-14(3)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRZXCPQSCGLIBBB-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 55000606
6-[[3-hydroxybutyl(methyl)carbamoyl]amino]hexanoic acid
CID 113499758
7-[[2-cyanoethyl(methyl)carbamoyl]amino]heptanoic acid
CID 61183836
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
CID 63960493
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid (CID 61196248) is 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid is CC(C)CN(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid?
The InChIKey is RZXCPQSCGLIBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2)9-14(3)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid?
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61196248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).