(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid

C24H33NO6 — CID 59995719

IUPAC(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C(CCCC1Cc2ccccc2O1)N[C@@H](C)C(=O)C1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H33NO6/c1-3-30-24(29)20(12-6-9-17-14-16-8-4-5-13-21(16)31-17)25-15(2)22(26)18-10-7-11-19(18)23(27)28/h4-5,8,13,15,17-20,25H,3,6-7,9-12,14H2,1-2H3,(H,27,28)/t15-,17?,18?,19+,20?/m0/s1
InChIKeyYIYCZNVUDPRLKY-BLJXUHTHSA-N
MW431.53 g/mol
LogP3.14
Rot. Bonds11

About (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid

(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid (PubChem CID 59995719) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid
PubChem CID59995719
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C(CCCC1Cc2ccccc2O1)N[C@@H](C)C(=O)C1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H33NO6/c1-3-30-24(29)20(12-6-9-17-14-16-8-4-5-13-21(16)31-17)25-15(2)22(26)18-10-7-11-19(18)23(27)28/h4-5,8,13,15,17-20,25H,3,6-7,9-12,14H2,1-2H3,(H,27,28)/t15-,17?,18?,19+,20?/m0/s1
InChIKeyYIYCZNVUDPRLKY-BLJXUHTHSA-N
XLogP3.14
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(2S,3R)-3-[(2R)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 124650199
2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[(1-ethoxy-1-oxo-6-piperidin-4-ylhexan-2-yl)amino]propanoyl]amino]acetic acid
CID 57002525
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
1-[(2S)-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 54243401
(3R)-2-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 71751932
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
ethyl (2S)-2-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 67875418
ethyl 2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]octanoate
CID 14514518
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 66363664
2-[[(2S)-2-[[(2S)-1-butoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-cyclopentylamino]acetic acid
CID 13145559

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid (CID 59995719) is (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid is CCOC(=O)C(CCCC1Cc2ccccc2O1)N[C@@H](C)C(=O)C1CCC[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YIYCZNVUDPRLKY-BLJXUHTHSA-N. The full InChI is InChI=1S/C24H33NO6/c1-3-30-24(29)20(12-6-9-17-14-16-8-4-5-13-21(16)31-17)25-15(2)22(26)18-10-7-11-19(18)23(27)28/h4-5,8,13,15,17-20,25H,3,6-7,9-12,14H2,1-2H3,(H,27,28)/t15-,17?,18?,19+,20?/m0/s1.
What are the key properties of (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid?
(1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid has a molecular weight of 431.53 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 59995719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).