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

C10H18N2O4 — CID 106739595

IUPAC3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NC(CO)C(=O)O)CCN1
InChIInChI=1S/C10H18N2O4/c1-6-4-7(2-3-11-6)9(14)12-8(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyHRLHURKVHMDYIQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds4

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

3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 106739595) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID106739595
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NC(CO)C(=O)O)CCN1
InChIInChI=1S/C10H18N2O4/c1-6-4-7(2-3-11-6)9(14)12-8(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyHRLHURKVHMDYIQ-UHFFFAOYSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid (CID 106739595) is 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid is CC1CC(C(=O)NC(CO)C(=O)O)CCN1.
What is the InChIKey of 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is HRLHURKVHMDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-4-7(2-3-11-6)9(14)12-8(5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106739595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).