(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid

C17H23NO3 — CID 107144402

IUPAC(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C17H23NO3/c1-2-3-10-14(15(19)20)18-16(21)17(11-7-12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyPQHRWFBNSBZJKH-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.87
Rot. Bonds7

About (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid

(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid (PubChem CID 107144402) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
PubChem CID107144402
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C17H23NO3/c1-2-3-10-14(15(19)20)18-16(21)17(11-7-12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyPQHRWFBNSBZJKH-AWEZNQCLSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120614850
N-(1-aminohexan-2-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119667911
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid (CID 107144402) is (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid?
The InChIKey is PQHRWFBNSBZJKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-10-14(15(19)20)18-16(21)17(11-7-12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid?
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid is sourced from PubChem (CID 107144402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).