4-(cycloheptylamino)butanoic acid

C11H21NO2 — CID 43377987

IUPAC4-(cycloheptylamino)butanoic acid
SMILESO=C(O)CCCNC1CCCCCC1
InChIInChI=1S/C11H21NO2/c13-11(14)8-5-9-12-10-6-3-1-2-4-7-10/h10,12H,1-9H2,(H,13,14)
InChIKeyFLJILIRGPBHHED-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.16
Rot. Bonds5

About 4-(cycloheptylamino)butanoic acid

4-(cycloheptylamino)butanoic acid (PubChem CID 43377987) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(cycloheptylamino)butanoic acid.

Molecular Properties

Compound Name4-(cycloheptylamino)butanoic acid
PubChem CID43377987
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(cycloheptylamino)butanoic acid
SMILESO=C(O)CCCNC1CCCCCC1
InChIInChI=1S/C11H21NO2/c13-11(14)8-5-9-12-10-6-3-1-2-4-7-10/h10,12H,1-9H2,(H,13,14)
InChIKeyFLJILIRGPBHHED-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.16
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

4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
2-[3-(cyclohexylamino)propylamino]acetic acid
CID 172685431
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
4-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
4-[(3-propan-2-ylcyclohexyl)amino]butanoic acid
CID 107448290
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
4-[(1,1-dioxothietan-3-yl)amino]butanoic acid
CID 84675160
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)butanoic acid?
The IUPAC name of 4-(cycloheptylamino)butanoic acid (CID 43377987) is 4-(cycloheptylamino)butanoic acid.
What is the SMILES notation for 4-(cycloheptylamino)butanoic acid?
The canonical SMILES for 4-(cycloheptylamino)butanoic acid is O=C(O)CCCNC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylamino)butanoic acid?
The InChIKey is FLJILIRGPBHHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-11(14)8-5-9-12-10-6-3-1-2-4-7-10/h10,12H,1-9H2,(H,13,14).
What are the key properties of 4-(cycloheptylamino)butanoic acid?
4-(cycloheptylamino)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)butanoic acid is sourced from PubChem (CID 43377987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).