(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 104876769

IUPAC(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)N1CCCC(C)(O)C1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(9(14)15)12-10(16)13-6-4-5-11(2,17)7-13/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,11?/m1/s1
InChIKeyRCOPVUMJCCBQMX-RZZZFEHKSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds3

About (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid

(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 104876769) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID104876769
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)N1CCCC(C)(O)C1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(9(14)15)12-10(16)13-6-4-5-11(2,17)7-13/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,11?/m1/s1
InChIKeyRCOPVUMJCCBQMX-RZZZFEHKSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 104876769) is (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is CC[C@@H](NC(=O)N1CCCC(C)(O)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is RCOPVUMJCCBQMX-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(9(14)15)12-10(16)13-6-4-5-11(2,17)7-13/h8,17H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,11?/m1/s1.
What are the key properties of (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104876769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).