(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C10H12N4O4 — CID 107589213

IUPAC(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O4/c15-7-1-8(9(16)17)14(4-7)10(18)13-6-2-11-5-12-3-6/h2-3,5,7-8,15H,1,4H2,(H,13,18)(H,16,17)/t7-,8-/m1/s1
InChIKeyLWXIGJHEDOZKBC-HTQZYQBOSA-N
MW252.23 g/mol
LogP-0.47
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 107589213) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID107589213
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O4/c15-7-1-8(9(16)17)14(4-7)10(18)13-6-2-11-5-12-3-6/h2-3,5,7-8,15H,1,4H2,(H,13,18)(H,16,17)/t7-,8-/m1/s1
InChIKeyLWXIGJHEDOZKBC-HTQZYQBOSA-N
XLogP-0.47
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2S,4S)-4-hydroxy-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714832
(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999623
(2R,4R)-4-hydroxy-1-(pyrimidin-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999486
(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983007
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S,4R)-1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045568
4-hydroxy-1-[(3-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186085
(2S,4S)-4-hydroxy-1-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714247
1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775382
(2S)-1-[(3-carbamoylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107809446

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 107589213) is (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cncnc1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LWXIGJHEDOZKBC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-7-1-8(9(16)17)14(4-7)10(18)13-6-2-11-5-12-3-6/h2-3,5,7-8,15H,1,4H2,(H,13,18)(H,16,17)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107589213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).