1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid

C12H15NO4 — CID 62096088

IUPAC1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1ccco1)NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H15NO4/c1-8(7-9-3-2-6-17-9)13-10(14)12(4-5-12)11(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOVEQPGZVZTUBMN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.19
Rot. Bonds5

About 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid

1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096088) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096088
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1ccco1)NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H15NO4/c1-8(7-9-3-2-6-17-9)13-10(14)12(4-5-12)11(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOVEQPGZVZTUBMN-UHFFFAOYSA-N
XLogP1.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683044
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511535
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (CID 62096088) is 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is CC(Cc1ccco1)NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OVEQPGZVZTUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(7-9-3-2-6-17-9)13-10(14)12(4-5-12)11(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).