4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid

C10H20N2O3 — CID 67799169

IUPAC4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
SMILESC[C@]1(NC(CCO)C(=O)O)CCCCN1
InChIInChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyNEBPFYHWPUWCJJ-HTLJXXAVSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds5

About 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid

4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid (PubChem CID 67799169) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
PubChem CID67799169
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
SMILESC[C@]1(NC(CCO)C(=O)O)CCCCN1
InChIInChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyNEBPFYHWPUWCJJ-HTLJXXAVSA-N
XLogP-0.10
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid
CID 114117081
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114101487
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid (CID 67799169) is 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid is C[C@]1(NC(CCO)C(=O)O)CCCCN1.
What is the InChIKey of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The InChIKey is NEBPFYHWPUWCJJ-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid is sourced from PubChem (CID 67799169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).