2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate

C11H18N2O4 — CID 79345365

IUPAC2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CC1)C1CCCN1C(=O)OCCO
InChIInChI=1S/C11H18N2O4/c14-6-7-17-11(16)13-5-1-2-9(13)10(15)12-8-3-4-8/h8-9,14H,1-7H2,(H,12,15)
InChIKeyMHNJCSLPOHCMIO-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.14
Rot. Bonds4

About 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate

2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 79345365) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID79345365
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CC1)C1CCCN1C(=O)OCCO
InChIInChI=1S/C11H18N2O4/c14-6-7-17-11(16)13-5-1-2-9(13)10(15)12-8-3-4-8/h8-9,14H,1-7H2,(H,12,15)
InChIKeyMHNJCSLPOHCMIO-UHFFFAOYSA-N
XLogP-0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 107877422
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
CID 79346721
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate (CID 79345365) is 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate is O=C(NC1CC1)C1CCCN1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is MHNJCSLPOHCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-6-7-17-11(16)13-5-1-2-9(13)10(15)12-8-3-4-8/h8-9,14H,1-7H2,(H,12,15).
What are the key properties of 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 242.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 79345365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).