7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid

C12H24N2O4 — CID 61207638

IUPAC7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
SMILESCCN(CCO)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-2-14(9-10-15)12(18)13-8-6-4-3-5-7-11(16)17/h15H,2-10H2,1H3,(H,13,18)(H,16,17)
InChIKeyVGXWDFFAKODGNF-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.05
Rot. Bonds10

About 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid

7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid (PubChem CID 61207638) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
PubChem CID61207638
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
SMILESCCN(CCO)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-2-14(9-10-15)12(18)13-8-6-4-3-5-7-11(16)17/h15H,2-10H2,1H3,(H,13,18)(H,16,17)
InChIKeyVGXWDFFAKODGNF-UHFFFAOYSA-N
XLogP1.05
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
3-[ethyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]propanoic acid
CID 106038851
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid (CID 61207638) is 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid is CCN(CCO)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid?
The InChIKey is VGXWDFFAKODGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-2-14(9-10-15)12(18)13-8-6-4-3-5-7-11(16)17/h15H,2-10H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid?
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.05, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 61207638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).