6-(1-cyclopropylethylcarbamoylamino)hexanoic acid

C12H22N2O3 — CID 61197551

IUPAC6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
SMILESCC(NC(=O)NCCCCCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(10-6-7-10)14-12(17)13-8-4-2-3-5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWYSDYFXVDXZZFF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds8

About 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid

6-(1-cyclopropylethylcarbamoylamino)hexanoic acid (PubChem CID 61197551) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
PubChem CID61197551
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
SMILESCC(NC(=O)NCCCCCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(10-6-7-10)14-12(17)13-8-4-2-3-5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWYSDYFXVDXZZFF-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
CID 114115295
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 43533623
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
7-(3-ethylpentan-2-ylcarbamoylamino)heptanoic acid
CID 63842379
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465
11-[[(2S)-3-carboxy-2-(2-methylpropanoylamino)propanoyl]amino]undecanoic acid
CID 170598258
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid (CID 61197551) is 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid is CC(NC(=O)NCCCCCC(=O)O)C1CC1.
What is the InChIKey of 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid?
The InChIKey is WYSDYFXVDXZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10-6-7-10)14-12(17)13-8-4-2-3-5-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid?
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61197551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).