(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 79000169

IUPAC(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-8-4-3-5-11(9(8)2)15-14(20)16-7-10(17)6-12(16)13(18)19/h8-12,17H,3-7H2,1-2H3,(H,15,20)(H,18,19)/t8?,9?,10-,11?,12-/m1/s1
InChIKeyOVAHJGZHEKIDCN-NPLYTMANSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds2

About (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000169) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000169
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1C
InChIInChI=1S/C14H24N2O4/c1-8-4-3-5-11(9(8)2)15-14(20)16-7-10(17)6-12(16)13(18)19/h8-12,17H,3-7H2,1-2H3,(H,15,20)(H,18,19)/t8?,9?,10-,11?,12-/m1/s1
InChIKeyOVAHJGZHEKIDCN-NPLYTMANSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241207
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63279461
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4S)-1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83019671
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000169) is (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC1CCCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1C.
What is the InChIKey of (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OVAHJGZHEKIDCN-NPLYTMANSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8-4-3-5-11(9(8)2)15-14(20)16-7-10(17)6-12(16)13(18)19/h8-12,17H,3-7H2,1-2H3,(H,15,20)(H,18,19)/t8?,9?,10-,11?,12-/m1/s1.
What are the key properties of (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).