(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid

C18H25NO3 — CID 119369696

IUPAC(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCC(C)c1ccc(C2(C(=O)N[C@H](C)C(=O)O)CCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)14-6-8-15(9-7-14)18(10-4-5-11-18)17(22)19-13(3)16(20)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyYBXJPAJJZBXJIJ-CYBMUJFWSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds5

About (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid

(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 119369696) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
PubChem CID119369696
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
SMILESCC(C)c1ccc(C2(C(=O)N[C@H](C)C(=O)O)CCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)14-6-8-15(9-7-14)18(10-4-5-11-18)17(22)19-13(3)16(20)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyYBXJPAJJZBXJIJ-CYBMUJFWSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 119349974
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
CID 112818275
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid (CID 119369696) is (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid is CC(C)c1ccc(C2(C(=O)N[C@H](C)C(=O)O)CCCC2)cc1.
What is the InChIKey of (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is YBXJPAJJZBXJIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)14-6-8-15(9-7-14)18(10-4-5-11-18)17(22)19-13(3)16(20)21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid?
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119369696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).