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

C9H16N2O4 — CID 104901235

IUPAC2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)[C@H]1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(15,8(13)14)5-11-7(12)6-3-2-4-10-6/h6,10,15H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,9?/m1/s1
InChIKeyWMHNKNMYPFJBMX-VJSCVCEBSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds4

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

2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 104901235) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID104901235
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(O)(CNC(=O)[C@H]1CCCN1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(15,8(13)14)5-11-7(12)6-3-2-4-10-6/h6,10,15H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,9?/m1/s1
InChIKeyWMHNKNMYPFJBMX-VJSCVCEBSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 104901235) is 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is CC(O)(CNC(=O)[C@H]1CCCN1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is WMHNKNMYPFJBMX-VJSCVCEBSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(15,8(13)14)5-11-7(12)6-3-2-4-10-6/h6,10,15H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,9?/m1/s1.
What are the key properties of 2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 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-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104901235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).