1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C10H18N2O4 — CID 63719728

IUPAC1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)CCO)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7-5-12(6-8(7)9(14)15)10(16)11(2)3-4-13/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMOSMDXDMFCTZHA-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.32
Rot. Bonds3

About 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719728) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719728
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)CCO)CC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7-5-12(6-8(7)9(14)15)10(16)11(2)3-4-13/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMOSMDXDMFCTZHA-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63719728) is 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)N(C)CCO)CC1C(=O)O.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MOSMDXDMFCTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-5-12(6-8(7)9(14)15)10(16)11(2)3-4-13/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).