(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H21N3O4 — CID 78999398

IUPAC(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-7(13(2)3)5-12-11(18)14-6-8(15)4-9(14)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-,9-/m1/s1
InChIKeyFJHVUFKXUNIQAQ-CFCGPWAMSA-N
MW259.31 g/mol
LogP-0.83
Rot. Bonds4

About (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 78999398) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID78999398
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-7(13(2)3)5-12-11(18)14-6-8(15)4-9(14)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-,9-/m1/s1
InChIKeyFJHVUFKXUNIQAQ-CFCGPWAMSA-N
XLogP-0.83
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104861481
(2R,4R)-4-hydroxy-1-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000489
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63843742
(2S)-1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112160
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S,4R)-1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82939026
(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843034
4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61200998
(2S)-1-[2-(diethylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184566
(2S,4S)-1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103112624

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 78999398) is (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O)N(C)C.
What is the InChIKey of (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FJHVUFKXUNIQAQ-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(13(2)3)5-12-11(18)14-6-8(15)4-9(14)10(16)17/h7-9,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-,9-/m1/s1.
What are the key properties of (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).