(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H29N3O2 — CID 71973252

IUPAC(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)C(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O2/c1-11(14(2,3)10-16(4)5)15-13(19)17-8-6-7-12(17)9-18/h11-12,18H,6-10H2,1-5H3,(H,15,19)/t11?,12-/m1/s1
InChIKeyNQDTUKJJCJOACV-PIJUOVFKSA-N
MW271.40 g/mol
LogP1.13
Rot. Bonds5

About (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71973252) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID71973252
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@@H]1CO)C(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O2/c1-11(14(2,3)10-16(4)5)15-13(19)17-8-6-7-12(17)9-18/h11-12,18H,6-10H2,1-5H3,(H,15,19)/t11?,12-/m1/s1
InChIKeyNQDTUKJJCJOACV-PIJUOVFKSA-N
XLogP1.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 71973252) is (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC[C@@H]1CO)C(C)(C)CN(C)C.
What is the InChIKey of (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is NQDTUKJJCJOACV-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(14(2,3)10-16(4)5)15-13(19)17-8-6-7-12(17)9-18/h11-12,18H,6-10H2,1-5H3,(H,15,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71973252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).