(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide

C9H18N2O2 — CID 141114850

IUPAC(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILES[2H]CN1CCC[C@@]1(C[C@@H](C)O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7(12)6-9(8(10)13)4-3-5-11(9)2/h7,12H,3-6H2,1-2H3,(H2,10,13)/t7-,9-/m1/s1/i2D
InChIKeyXDAJIDKGEQJRDN-QSDOOBBZSA-N
MW187.26 g/mol
LogP-0.29
Rot. Bonds4

About (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide

(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide (PubChem CID 141114850) has the molecular formula C9H18N2O2 and a molecular weight of 187.26 g/mol. Its IUPAC name is (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide
PubChem CID141114850
Molecular FormulaC9H18N2O2
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILES[2H]CN1CCC[C@@]1(C[C@@H](C)O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7(12)6-9(8(10)13)4-3-5-11(9)2/h7,12H,3-6H2,1-2H3,(H2,10,13)/t7-,9-/m1/s1/i2D
InChIKeyXDAJIDKGEQJRDN-QSDOOBBZSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide
CID 141114786
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
1-(1-aminocyclobutyl)propan-2-ol
CID 55284401
2-(methoxymethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 141285069
1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 140939281
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide (CID 141114850) is (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide is [2H]CN1CCC[C@@]1(C[C@@H](C)O)C(N)=O.
What is the InChIKey of (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The InChIKey is XDAJIDKGEQJRDN-QSDOOBBZSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(12)6-9(8(10)13)4-3-5-11(9)2/h7,12H,3-6H2,1-2H3,(H2,10,13)/t7-,9-/m1/s1/i2D.
What are the key properties of (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide has a molecular weight of 187.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 141114850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).