1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

C14H22N2O3 — CID 115455332

IUPAC1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O3/c17-9-14(5-6-14)8-15-12(18)11-2-1-7-16(11)13(19)10-3-4-10/h10-11,17H,1-9H2,(H,15,18)
InChIKeySWHUILYMCFZKAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.28
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 115455332) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
PubChem CID115455332
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C14H22N2O3/c17-9-14(5-6-14)8-15-12(18)11-2-1-7-16(11)13(19)10-3-4-10/h10-11,17H,1-9H2,(H,15,18)
InChIKeySWHUILYMCFZKAA-UHFFFAOYSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclopropylmethyl)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529686
(2S)-N-cyclopropyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529689
1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106168746
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110642409
(2S)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 18597293
N-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 43132405
(2S)-N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrrolidine-2-carboxamide
CID 53863584
H-Val-Pro-Val-ol
CID 54544632
(2S)-N-[2-(3-hydroxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 59479663
(2S)-N-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 61148407
1-[(2S)-2-amino-3-methylbutanoyl]-N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 70882334
1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 70882400

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (CID 115455332) is 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1(CO)CC1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SWHUILYMCFZKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-9-14(5-6-14)8-15-12(18)11-2-1-7-16(11)13(19)10-3-4-10/h10-11,17H,1-9H2,(H,15,18).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).