2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H17NO3 — CID 60948460

IUPAC2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESC=CCN(C(=O)C1CC1C(=O)O)C(C)C
InChIInChI=1S/C11H17NO3/c1-4-5-12(7(2)3)10(13)8-6-9(8)11(14)15/h4,7-9H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyOAOQNGKAZGYISM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.13
Rot. Bonds5

About 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60948460) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60948460
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESC=CCN(C(=O)C1CC1C(=O)O)C(C)C
InChIInChI=1S/C11H17NO3/c1-4-5-12(7(2)3)10(13)8-6-9(8)11(14)15/h4,7-9H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyOAOQNGKAZGYISM-UHFFFAOYSA-N
XLogP1.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978411
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390269
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957
2-[ethyl(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391246
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512018
4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430483
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
2-[1-[propan-2-yl(prop-2-enyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683533

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60948460) is 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid is C=CCN(C(=O)C1CC1C(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OAOQNGKAZGYISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-12(7(2)3)10(13)8-6-9(8)11(14)15/h4,7-9H,1,5-6H2,2-3H3,(H,14,15).
What are the key properties of 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60948460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).