(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 63657175

IUPAC(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-14(7-9-4-2-3-5-9)13(19)15-8-10(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyLADWXMKASIPLDI-DTIOYNMSSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds3

About (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63657175) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63657175
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-14(7-9-4-2-3-5-9)13(19)15-8-10(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyLADWXMKASIPLDI-DTIOYNMSSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(2S,4R)-1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841664
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S)-1-[2,2-difluoroethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104871074
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
(2S,4S)-4-hydroxy-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79865146
(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61440062

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63657175) is (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(CC1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LADWXMKASIPLDI-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14(7-9-4-2-3-5-9)13(19)15-8-10(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).