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

C10H18N2O5 — CID 81115681

IUPAC3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-7(6-13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyBANIUFSGMLXREU-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.01
Rot. Bonds3

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

3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 81115681) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID81115681
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(O)CCN(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-7(6-13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyBANIUFSGMLXREU-UHFFFAOYSA-N
XLogP-1.01
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148
2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 81115681) is 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1(O)CCN(C(=O)NC(CO)C(=O)O)CC1.
What is the InChIKey of 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is BANIUFSGMLXREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(17)2-4-12(5-3-10)9(16)11-7(6-13)8(14)15/h7,13,17H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81115681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).