6-(dipropylcarbamoylamino)hexanoic acid

C13H26N2O3 — CID 61181306

IUPAC6-(dipropylcarbamoylamino)hexanoic acid
SMILESCCCN(CCC)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-10-15(11-4-2)13(18)14-9-7-5-6-8-12(16)17/h3-11H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVRHRVQRUWAWWIE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds10

About 6-(dipropylcarbamoylamino)hexanoic acid

6-(dipropylcarbamoylamino)hexanoic acid (PubChem CID 61181306) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-(dipropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(dipropylcarbamoylamino)hexanoic acid
PubChem CID61181306
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-(dipropylcarbamoylamino)hexanoic acid
SMILESCCCN(CCC)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-10-15(11-4-2)13(18)14-9-7-5-6-8-12(16)17/h3-11H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVRHRVQRUWAWWIE-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
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

7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538
6-[[butyl(2-hydroxyethyl)carbamoyl]amino]hexanoic acid
CID 61447424
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
1,1,3-tri(undecyl)urea
CID 168918847
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
methane;1,1,3-trioctylurea
CID 163789497
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
1-octyl-1,3-dipropylurea
CID 87897947

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(dipropylcarbamoylamino)hexanoic acid (CID 61181306) is 6-(dipropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(dipropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(dipropylcarbamoylamino)hexanoic acid is CCCN(CCC)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(dipropylcarbamoylamino)hexanoic acid?
The InChIKey is VRHRVQRUWAWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-10-15(11-4-2)13(18)14-9-7-5-6-8-12(16)17/h3-11H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 6-(dipropylcarbamoylamino)hexanoic acid?
6-(dipropylcarbamoylamino)hexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).