1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C12H18N2O3 — CID 62097146

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C12H18N2O3/c15-10(12(4-5-12)11(16)17)13-8-3-6-14(7-8)9-1-2-9/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyYNRBBUFRXORKNB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds4

About 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62097146) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62097146
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C12H18N2O3/c15-10(12(4-5-12)11(16)17)13-8-3-6-14(7-8)9-1-2-9/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyYNRBBUFRXORKNB-UHFFFAOYSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.20
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

N-(1-cyclopropylpyrrolidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597560
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
CID 55179292
1-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclopentane-1-carboxylic acid
CID 115001282
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
N-(1-cyclopropylpyrrolidin-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242656
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
2-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclobutane-1-carboxylic acid
CID 103244988

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62097146) is 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NC2CCN(C3CC3)C2)CC1.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YNRBBUFRXORKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10(12(4-5-12)11(16)17)13-8-3-6-14(7-8)9-1-2-9/h8-9H,1-7H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62097146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).