(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide

C15H25N3O2 — CID 124505468

IUPAC(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESC[C@H](CCc1cccn1C)NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C15H25N3O2/c1-12(7-8-13-5-3-9-17(13)2)16-15(20)18-10-4-6-14(18)11-19/h3,5,9,12,14,19H,4,6-8,10-11H2,1-2H3,(H,16,20)/t12-,14-/m1/s1
InChIKeyLUVDAQKWXGOVBF-TZMCWYRMSA-N
MW279.38 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 124505468) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
PubChem CID124505468
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESC[C@H](CCc1cccn1C)NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C15H25N3O2/c1-12(7-8-13-5-3-9-17(13)2)16-15(20)18-10-4-6-14(18)11-19/h3,5,9,12,14,19H,4,6-8,10-11H2,1-2H3,(H,16,20)/t12-,14-/m1/s1
InChIKeyLUVDAQKWXGOVBF-TZMCWYRMSA-N
XLogP1.51
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(hydroxymethyl)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505467
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
cis-(1S,2R)-2-[[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132467
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
CID 97323045
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
1-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 124865770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide (CID 124505468) is (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide is C[C@H](CCc1cccn1C)NC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is LUVDAQKWXGOVBF-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(7-8-13-5-3-9-17(13)2)16-15(20)18-10-4-6-14(18)11-19/h3,5,9,12,14,19H,4,6-8,10-11H2,1-2H3,(H,16,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124505468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).