2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid

C10H17NO3 — CID 90327802

IUPAC2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
SMILESC[C@@H]1CCCN1C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-5-4-6-11(7)8(12)10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyMVFCGZRVCGTIDZ-SSDOTTSWSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds2

About 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid

2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid (PubChem CID 90327802) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
PubChem CID90327802
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
SMILESC[C@@H]1CCCN1C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-7-5-4-6-11(7)8(12)10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyMVFCGZRVCGTIDZ-SSDOTTSWSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one
CID 123881248
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylazepan-1-yl)propan-1-one
CID 79811691
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid (CID 90327802) is 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid is C[C@@H]1CCCN1C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid?
The InChIKey is MVFCGZRVCGTIDZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-4-6-11(7)8(12)10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid?
2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid is sourced from PubChem (CID 90327802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).