1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid

C8H14N2O4 — CID 114351300

IUPAC1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C(N)=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(7(9)12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3H2,1H3,(H2,9,12)(H,13,14)
InChIKeyGRLLHYRTTMRJQA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.62
Rot. Bonds3

About 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351300) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351300
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C(N)=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(7(9)12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3H2,1H3,(H2,9,12)(H,13,14)
InChIKeyGRLLHYRTTMRJQA-UHFFFAOYSA-N
XLogP-1.62
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351214
2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 131175978
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid
CID 146015084
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
4-hydroxy-1-[hydroxy(methyl)boranyl]pyrrolidine-2-carboxylic acid
CID 23595314
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351300) is 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(C(N)=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GRLLHYRTTMRJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4(7(9)12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).