2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid

C16H21NO3 — CID 16772049

IUPAC2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(CC1CCCC1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO3/c18-15(11-13-8-4-5-9-13)17-14(16(19)20)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKeyLNIDLFQMIJRKMN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds6

About 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid

2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid (PubChem CID 16772049) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
PubChem CID16772049
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(CC1CCCC1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21NO3/c18-15(11-13-8-4-5-9-13)17-14(16(19)20)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKeyLNIDLFQMIJRKMN-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid (CID 16772049) is 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid is O=C(CC1CCCC1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid?
The InChIKey is LNIDLFQMIJRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(11-13-8-4-5-9-13)17-14(16(19)20)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid?
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 16772049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).