(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid

C14H15NO4 — CID 95359138

IUPAC(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
SMILESC[C@H](CCC(=O)O)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-9(6-7-13(16)17)15-14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyXMTWHAICQKABKB-SECBINFHSA-N
MW261.28 g/mol
LogP2.42
Rot. Bonds5

About (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid

(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid (PubChem CID 95359138) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
PubChem CID95359138
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
SMILESC[C@H](CCC(=O)O)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-9(6-7-13(16)17)15-14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyXMTWHAICQKABKB-SECBINFHSA-N
XLogP2.42
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
CID 86946401
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
3-(1-benzofuran-3-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75513256
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid?
The IUPAC name of (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid (CID 95359138) is (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid?
The canonical SMILES for (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid is C[C@H](CCC(=O)O)NC(=O)c1coc2ccccc12.
What is the InChIKey of (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid?
The InChIKey is XMTWHAICQKABKB-SECBINFHSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(6-7-13(16)17)15-14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid?
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 95359138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).