2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid

C15H21NO2 — CID 103250718

IUPAC2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCNC1CCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-11(12-5-3-2-4-6-12)9-10-16-14-8-7-13(14)15(17)18/h2-6,11,13-14,16H,7-10H2,1H3,(H,17,18)
InChIKeyQPSIDGVWDFKOEA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid

2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid (PubChem CID 103250718) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
PubChem CID103250718
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCNC1CCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-11(12-5-3-2-4-6-12)9-10-16-14-8-7-13(14)15(17)18/h2-6,11,13-14,16H,7-10H2,1H3,(H,17,18)
InChIKeyQPSIDGVWDFKOEA-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
N-(3-phenylbutyl)benzamide
CID 62403316
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid (CID 103250718) is 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid is CC(CCNC1CCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid?
The InChIKey is QPSIDGVWDFKOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(12-5-3-2-4-6-12)9-10-16-14-8-7-13(14)15(17)18/h2-6,11,13-14,16H,7-10H2,1H3,(H,17,18).
What are the key properties of 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid?
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103250718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).