2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid

C16H21NO3 — CID 107175398

IUPAC2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
SMILESCC1CCCC1C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11-7-6-10-13(11)14(18)17-16(2,15(19)20)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPKHZJOXIQMKQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid

2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid (PubChem CID 107175398) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
PubChem CID107175398
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
SMILESCC1CCCC1C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11-7-6-10-13(11)14(18)17-16(2,15(19)20)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPKHZJOXIQMKQJ-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 103870867
2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62942680
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107184155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid (CID 107175398) is 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid is CC1CCCC1C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is LPKHZJOXIQMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-7-6-10-13(11)14(18)17-16(2,15(19)20)12-8-4-3-5-9-12/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid?
2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 107175398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).