4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 79350874

IUPAC4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(CNC(=O)N2CC(O)CC2C(=O)O)C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2)10(14(13,3)4)6-15-12(20)16-7-8(17)5-9(16)11(18)19/h8-10,17H,5-7H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRMVIFEPGYZHVFJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.90
Rot. Bonds3

About 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79350874) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79350874
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(CNC(=O)N2CC(O)CC2C(=O)O)C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2)10(14(13,3)4)6-15-12(20)16-7-8(17)5-9(16)11(18)19/h8-10,17H,5-7H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRMVIFEPGYZHVFJ-UHFFFAOYSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350873
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S,4R)-1-[(4-ethylcyclohexyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843058
(2S,4S)-4-hydroxy-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64714121
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
(2S)-1-(but-2-ynylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104861193
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 79350874) is 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CC1(C)C(CNC(=O)N2CC(O)CC2C(=O)O)C1(C)C.
What is the InChIKey of 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RMVIFEPGYZHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)10(14(13,3)4)6-15-12(20)16-7-8(17)5-9(16)11(18)19/h8-10,17H,5-7H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79350874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).