2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid

C11H19NO5 — CID 19075764

IUPAC2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid
SMILESCOC(=O)C(O)(CCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-17-10(15)11(16,9(13)14)6-5-8-4-2-3-7-12-8/h8,12,16H,2-7H2,1H3,(H,13,14)
InChIKeyMYJJYNYSKFHAAO-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.10
Rot. Bonds5

About 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid

2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid (PubChem CID 19075764) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid
PubChem CID19075764
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid
SMILESCOC(=O)C(O)(CCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-17-10(15)11(16,9(13)14)6-5-8-4-2-3-7-12-8/h8,12,16H,2-7H2,1H3,(H,13,14)
InChIKeyMYJJYNYSKFHAAO-UHFFFAOYSA-N
XLogP-0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
CID 174952901
CID 174952901
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(azocan-2-yl)acetate
CID 86040521
1-methoxy-4-piperidin-2-ylbutan-2-one
CID 116563611
3-(azepan-2-yl)propanoic acid
CID 69475849
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid?
The IUPAC name of 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid (CID 19075764) is 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid.
What is the SMILES notation for 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid?
The canonical SMILES for 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid is COC(=O)C(O)(CCC1CCCCN1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid?
The InChIKey is MYJJYNYSKFHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-17-10(15)11(16,9(13)14)6-5-8-4-2-3-7-12-8/h8,12,16H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid?
2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxycarbonyl-4-piperidin-2-ylbutanoic acid is sourced from PubChem (CID 19075764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).