2-(propylamino)cyclobutane-1-carboxylic acid

C8H15NO2 — CID 103235108

IUPAC2-(propylamino)cyclobutane-1-carboxylic acid
SMILESCCCNC1CCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-5-9-7-4-3-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyKYZFTUXWTBOTPR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds4

About 2-(propylamino)cyclobutane-1-carboxylic acid

2-(propylamino)cyclobutane-1-carboxylic acid (PubChem CID 103235108) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(propylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(propylamino)cyclobutane-1-carboxylic acid
PubChem CID103235108
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(propylamino)cyclobutane-1-carboxylic acid
SMILESCCCNC1CCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-5-9-7-4-3-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyKYZFTUXWTBOTPR-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-(pentylamino)cyclopropane-1-carboxylic acid
CID 117027619
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 103260441
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(propylamino)cyclobutane-1-carboxylic acid (CID 103235108) is 2-(propylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(propylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(propylamino)cyclobutane-1-carboxylic acid is CCCNC1CCC1C(=O)O.
What is the InChIKey of 2-(propylamino)cyclobutane-1-carboxylic acid?
The InChIKey is KYZFTUXWTBOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-5-9-7-4-3-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(propylamino)cyclobutane-1-carboxylic acid?
2-(propylamino)cyclobutane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103235108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).