(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid

C11H20N2O5 — CID 107829254

IUPAC(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1(O)CCCN(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-11(18)4-2-5-13(7-11)10(17)12-8(3-6-14)9(15)16/h8,14,18H,2-7H2,1H3,(H,12,17)(H,15,16)/t8-,11?/m0/s1
InChIKeyUAWMYRHKWFWKEZ-YMNIQAILSA-N
MW260.29 g/mol
LogP-0.62
Rot. Bonds4

About (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107829254) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107829254
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1(O)CCCN(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-11(18)4-2-5-13(7-11)10(17)12-8(3-6-14)9(15)16/h8,14,18H,2-7H2,1H3,(H,12,17)(H,15,16)/t8-,11?/m0/s1
InChIKeyUAWMYRHKWFWKEZ-YMNIQAILSA-N
XLogP-0.62
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 104876769
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005879
2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 107829254) is (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is CC1(O)CCCN(C(=O)N[C@@H](CCO)C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is UAWMYRHKWFWKEZ-YMNIQAILSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(18)4-2-5-13(7-11)10(17)12-8(3-6-14)9(15)16/h8,14,18H,2-7H2,1H3,(H,12,17)(H,15,16)/t8-,11?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107829254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).