(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C15H24N2O4 — CID 64714969

IUPAC(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O4/c1-8(12-5-9-2-3-10(12)4-9)16-15(21)17-7-11(18)6-13(17)14(19)20/h8-13,18H,2-7H2,1H3,(H,16,21)(H,19,20)/t8?,9?,10?,11-,12?,13-/m0/s1
InChIKeyYCBCZJMMXDYZGY-QKLHXFNFSA-N
MW296.37 g/mol
LogP1.04
Rot. Bonds3

About (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64714969) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64714969
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O4/c1-8(12-5-9-2-3-10(12)4-9)16-15(21)17-7-11(18)6-13(17)14(19)20/h8-13,18H,2-7H2,1H3,(H,16,21)(H,19,20)/t8?,9?,10?,11-,12?,13-/m0/s1
InChIKeyYCBCZJMMXDYZGY-QKLHXFNFSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2S,4R)-1-(1-cyclopropylpropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63995741
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
1-(but-3-yn-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114418303
(2S,4S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713050
(2S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955310
(2S)-4-hydroxy-1-(4-methylsulfinylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113493669
(2S,4R)-1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82939026
(2R,4R)-1-(heptan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999501
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
(2S,4R)-4-hydroxy-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64644214

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64714969) is (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(NC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC2CCC1C2.
What is the InChIKey of (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YCBCZJMMXDYZGY-QKLHXFNFSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-8(12-5-9-2-3-10(12)4-9)16-15(21)17-7-11(18)6-13(17)14(19)20/h8-13,18H,2-7H2,1H3,(H,16,21)(H,19,20)/t8?,9?,10?,11-,12?,13-/m0/s1.
What are the key properties of (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).