5-(cyclobutylmethylamino)-5-oxopentanoic acid

C10H17NO3 — CID 43529068

IUPAC5-(cyclobutylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCC1
InChIInChI=1S/C10H17NO3/c12-9(5-2-6-10(13)14)11-7-8-3-1-4-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyGWMLAQOMVHMRKX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds6

About 5-(cyclobutylmethylamino)-5-oxopentanoic acid

5-(cyclobutylmethylamino)-5-oxopentanoic acid (PubChem CID 43529068) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(cyclobutylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclobutylmethylamino)-5-oxopentanoic acid
PubChem CID43529068
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-(cyclobutylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCC1
InChIInChI=1S/C10H17NO3/c12-9(5-2-6-10(13)14)11-7-8-3-1-4-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyGWMLAQOMVHMRKX-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4OcNHCO butyric acid
CID 454081
4-((Propan-2-yl)carbamoyl)butanoic acid
CID 3459394
4-(propylcarbamoyl)butanoic Acid
CID 5135850
5-(3-Aminopropylamino)-5-oxopentanoic acid
CID 12235400
N1-acetyl,N8-glutarylspermidine
CID 168475452
N1-glutaryl,N8-acetylspermidine
CID 168475453
N8-glutarylspermidine
CID 168475458
N1-glutarylspermidine
CID 168475459
5-(Cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2949779
N-pentylglutaramic acid
CID 3584873
4-(ethylcarbamoyl)butanoic Acid
CID 4326117
Pentanoic acid, 5-(butylamino)-5-oxo-
CID 5253295

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(cyclobutylmethylamino)-5-oxopentanoic acid (CID 43529068) is 5-(cyclobutylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclobutylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclobutylmethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC1CCC1.
What is the InChIKey of 5-(cyclobutylmethylamino)-5-oxopentanoic acid?
The InChIKey is GWMLAQOMVHMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(5-2-6-10(13)14)11-7-8-3-1-4-8/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 5-(cyclobutylmethylamino)-5-oxopentanoic acid?
5-(cyclobutylmethylamino)-5-oxopentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43529068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).