(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 78999621

IUPAC(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CCCC1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-10-4-2-3-8(10)13-12(18)14-6-7(15)5-9(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7-,8?,9-,10?/m1/s1
InChIKeyOIHNJSHBPNKWEM-PRWFHZCQSA-N
MW272.30 g/mol
LogP-0.22
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78999621) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78999621
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CCCC1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-10-4-2-3-8(10)13-12(18)14-6-7(15)5-9(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7-,8?,9-,10?/m1/s1
InChIKeyOIHNJSHBPNKWEM-PRWFHZCQSA-N
XLogP-0.22
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
4-ethyl-1-[(2-methoxycyclopentyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430343
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
1-[(2-hydroxycyclohexyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62359093
4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63279461
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78999621) is (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is COC1CCCC1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OIHNJSHBPNKWEM-PRWFHZCQSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-10-4-2-3-8(10)13-12(18)14-6-7(15)5-9(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7-,8?,9-,10?/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).