(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 62358912

IUPAC(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H20N2O5/c15-7-5-9(11(17)18)14(6-7)12(19)13-8-3-1-2-4-10(8)16/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m0/s1
InChIKeyYXCMDRYIDQLCQB-HTEYAMCKSA-N
MW272.30 g/mol
LogP-0.48
Rot. Bonds2

About (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 62358912) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID62358912
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H20N2O5/c15-7-5-9(11(17)18)14(6-7)12(19)13-8-3-1-2-4-10(8)16/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m0/s1
InChIKeyYXCMDRYIDQLCQB-HTEYAMCKSA-N
XLogP-0.48
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
1-[(2-hydroxycyclohexyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62359093
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
(2S)-4-hydroxy-1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80719933
(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79000486
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 62358912) is (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)NC1CCCCC1O.
What is the InChIKey of (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YXCMDRYIDQLCQB-HTEYAMCKSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-7-5-9(11(17)18)14(6-7)12(19)13-8-3-1-2-4-10(8)16/h7-10,15-16H,1-6H2,(H,13,19)(H,17,18)/t7?,8?,9-,10?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62358912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).