2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid

C16H21NO3 — CID 43630836

IUPAC2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-2-7-13(14(18)19)17-15(20)16(10-6-11-16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyMIBRTMURSQXEPJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid

2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid (PubChem CID 43630836) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
PubChem CID43630836
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-2-7-13(14(18)19)17-15(20)16(10-6-11-16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyMIBRTMURSQXEPJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid (CID 43630836) is 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid is CCCC(NC(=O)C1(c2ccccc2)CCC1)C(=O)O.
What is the InChIKey of 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid?
The InChIKey is MIBRTMURSQXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-7-13(14(18)19)17-15(20)16(10-6-11-16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid?
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).