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

C13H26N2O4 — CID 61425538

IUPAC7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
SMILESCCCN(CCO)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-2-9-15(10-11-16)13(19)14-8-6-4-3-5-7-12(17)18/h16H,2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyWJWHPKZXGRXBQJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.44
Rot. Bonds11

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

7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid (PubChem CID 61425538) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
PubChem CID61425538
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
SMILESCCCN(CCO)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-2-9-15(10-11-16)13(19)14-8-6-4-3-5-7-12(17)18/h16H,2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyWJWHPKZXGRXBQJ-UHFFFAOYSA-N
XLogP1.44
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.44
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

6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
1,1,3-tri(undecyl)urea
CID 168918847
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
methane;1,1,3-trioctylurea
CID 163789497
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264

Frequently Asked Questions

What is the IUPAC name of 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid (CID 61425538) is 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid is CCCN(CCO)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid?
The InChIKey is WJWHPKZXGRXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-2-9-15(10-11-16)13(19)14-8-6-4-3-5-7-12(17)18/h16H,2-11H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid?
7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.44, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 61425538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).