formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid

C17H30N2O6 — CID 154913701

IUPACformic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)N1.O=CO
InChIInChI=1S/C16H28N2O4.CH2O2/c1-15(2)7-10(8-16(3,4)17-15)5-13(20)18-9-11(19)6-12(18)14(21)22;2-1-3/h10-12,17,19H,5-9H2,1-4H3,(H,21,22);1H,(H,2,3)/t11-,12+;/m1./s1
InChIKeySMSUEIYJGPZQBS-LYCTWNKOSA-N
MW358.44 g/mol
LogP0.68
Rot. Bonds3

About formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid

formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 154913701) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameformic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID154913701
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Nameformic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)N1.O=CO
InChIInChI=1S/C16H28N2O4.CH2O2/c1-15(2)7-10(8-16(3,4)17-15)5-13(20)18-9-11(19)6-12(18)14(21)22;2-1-3/h10-12,17,19H,5-9H2,1-4H3,(H,21,22);1H,(H,2,3)/t11-,12+;/m1./s1
InChIKeySMSUEIYJGPZQBS-LYCTWNKOSA-N
XLogP0.68
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79615394
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607866
(2S)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607781
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152118
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036

Frequently Asked Questions

What is the IUPAC name of formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 154913701) is formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid is CC1(C)CC(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)N1.O=CO.
What is the InChIKey of formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SMSUEIYJGPZQBS-LYCTWNKOSA-N. The full InChI is InChI=1S/C16H28N2O4.CH2O2/c1-15(2)7-10(8-16(3,4)17-15)5-13(20)18-9-11(19)6-12(18)14(21)22;2-1-3/h10-12,17,19H,5-9H2,1-4H3,(H,21,22);1H,(H,2,3)/t11-,12+;/m1./s1.
What are the key properties of formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154913701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).