3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid

C10H18N2O4 — CID 103357125

IUPAC3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-10(16)4-6-12(7-10)9(15)11(2)5-3-8(13)14/h16H,3-7H2,1-2H3,(H,13,14)
InChIKeySBJIATBOSYXZAQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.03
Rot. Bonds3

About 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid

3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 103357125) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID103357125
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H18N2O4/c1-10(16)4-6-12(7-10)9(15)11(2)5-3-8(13)14/h16H,3-7H2,1-2H3,(H,13,14)
InChIKeySBJIATBOSYXZAQ-UHFFFAOYSA-N
XLogP-0.03
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 163257337
3-[tert-butyl-(4-hydroxy-4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107405732
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984113
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103357102
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
CID 103357315
1-[2,2-dimethylpropyl(methyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710894

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid (CID 103357125) is 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is SBJIATBOSYXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(16)4-6-12(7-10)9(15)11(2)5-3-8(13)14/h16H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid?
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 103357125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).