4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid

C11H19N3O5 — CID 61200998

IUPAC4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(2)13-9(16)4-12-11(19)14-5-7(15)3-8(14)10(17)18/h6-8,15H,3-5H2,1-2H3,(H,12,19)(H,13,16)(H,17,18)
InChIKeyCYYWXVYAJVXNOE-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.26
Rot. Bonds4

About 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61200998) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61200998
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(2)13-9(16)4-12-11(19)14-5-7(15)3-8(14)10(17)18/h6-8,15H,3-5H2,1-2H3,(H,12,19)(H,13,16)(H,17,18)
InChIKeyCYYWXVYAJVXNOE-UHFFFAOYSA-N
XLogP-1.26
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356653
(2R,4R)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356743
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104861258
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2S,4R)-1-(1-cyclopropylpropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63995741
(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999398
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
(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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 61200998) is 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)NC(=O)CNC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CYYWXVYAJVXNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(2)13-9(16)4-12-11(19)14-5-7(15)3-8(14)10(17)18/h6-8,15H,3-5H2,1-2H3,(H,12,19)(H,13,16)(H,17,18).
What are the key properties of 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61200998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).