6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid

C14H27N3O4 — CID 61194288

IUPAC6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c18-13(19)5-2-1-3-6-15-14(20)16-7-4-8-17-9-11-21-12-10-17/h1-12H2,(H,18,19)(H2,15,16,20)
InChIKeyUGNGYUFSSZCAQL-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.65
Rot. Bonds10

About 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid

6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid (PubChem CID 61194288) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
PubChem CID61194288
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H27N3O4/c18-13(19)5-2-1-3-6-15-14(20)16-7-4-8-17-9-11-21-12-10-17/h1-12H2,(H,18,19)(H2,15,16,20)
InChIKeyUGNGYUFSSZCAQL-UHFFFAOYSA-N
XLogP0.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
6-(aziridin-1-yl)hexanoic acid
CID 141385441
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid (CID 61194288) is 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)NCCCN1CCOCC1.
What is the InChIKey of 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid?
The InChIKey is UGNGYUFSSZCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c18-13(19)5-2-1-3-6-15-14(20)16-7-4-8-17-9-11-21-12-10-17/h1-12H2,(H,18,19)(H2,15,16,20).
What are the key properties of 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid?
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid has a molecular weight of 301.39 g/mol, XLogP of 0.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61194288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).