4-(pentylcarbamoylamino)butanoic acid

C10H20N2O3 — CID 28511535

IUPAC4-(pentylcarbamoylamino)butanoic acid
SMILESCCCCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-7-11-10(15)12-8-5-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyANANXLJIDYTEPR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds8

About 4-(pentylcarbamoylamino)butanoic acid

4-(pentylcarbamoylamino)butanoic acid (PubChem CID 28511535) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(pentylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(pentylcarbamoylamino)butanoic acid
PubChem CID28511535
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(pentylcarbamoylamino)butanoic acid
SMILESCCCCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-7-11-10(15)12-8-5-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyANANXLJIDYTEPR-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
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

7-(butylcarbamoylamino)heptanoic acid
CID 28786256
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
2-(heptylcarbamoylamino)acetic acid
CID 43129060
1-propyl-3-tridecylurea
CID 10934987
4-(tridecanoylamino)butanoic acid
CID 164851630
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
6-(octylcarbamoylamino)hexanamide
CID 11833003
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867

Frequently Asked Questions

What is the IUPAC name of 4-(pentylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(pentylcarbamoylamino)butanoic acid (CID 28511535) is 4-(pentylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(pentylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(pentylcarbamoylamino)butanoic acid is CCCCCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(pentylcarbamoylamino)butanoic acid?
The InChIKey is ANANXLJIDYTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-7-11-10(15)12-8-5-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(pentylcarbamoylamino)butanoic acid?
4-(pentylcarbamoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylcarbamoylamino)butanoic acid is sourced from PubChem (CID 28511535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).