2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

C10H18N2O4 — CID 79385228

IUPAC2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC1NCCC1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-7(3-4-11-6)8(13)12-5-10(2,16)9(14)15/h6-7,11,16H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCQFDDLNAJYXEEP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 79385228) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID79385228
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC1NCCC1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-7(3-4-11-6)8(13)12-5-10(2,16)9(14)15/h6-7,11,16H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCQFDDLNAJYXEEP-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

2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79798216
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 102953523
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
N-(2-methoxy-2-methylpropyl)-2-methylpiperidine-3-carboxamide
CID 104761997
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
CID 79384521

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 79385228) is 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CC1NCCC1C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is CQFDDLNAJYXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-7(3-4-11-6)8(13)12-5-10(2,16)9(14)15/h6-7,11,16H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-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 2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79385228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).