1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H17NO5 — CID 46236390

IUPAC1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2oc(C(=O)NC3(C(=O)O)CCCC3)cc2c1
InChIInChI=1S/C16H17NO5/c1-21-11-4-5-12-10(8-11)9-13(22-12)14(18)17-16(15(19)20)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyMZVPKUJJUKTHGO-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.57
Rot. Bonds4

About 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 46236390) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID46236390
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc2oc(C(=O)NC3(C(=O)O)CCCC3)cc2c1
InChIInChI=1S/C16H17NO5/c1-21-11-4-5-12-10(8-11)9-13(22-12)14(18)17-16(15(19)20)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyMZVPKUJJUKTHGO-UHFFFAOYSA-N
XLogP2.57
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 10118698
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61218012
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
5-methoxy-N-[1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 91285641
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
5-methoxy-N-[1-[4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 90730315

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 46236390) is 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is COc1ccc2oc(C(=O)NC3(C(=O)O)CCCC3)cc2c1.
What is the InChIKey of 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MZVPKUJJUKTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-11-4-5-12-10(8-11)9-13(22-12)14(18)17-16(15(19)20)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 46236390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).