1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C14H24N2O5 — CID 122012361

IUPAC1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCO1
InChIInChI=1S/C14H24N2O5/c1-14(12(17)18)5-6-16(9-14)13(19)15-10(8-20-2)11-4-3-7-21-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUXXZYATZFPEVOJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.69
Rot. Bonds5

About 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122012361) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122012361
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCO1
InChIInChI=1S/C14H24N2O5/c1-14(12(17)18)5-6-16(9-14)13(19)15-10(8-20-2)11-4-3-7-21-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUXXZYATZFPEVOJ-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[1-(oxan-4-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004734
(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide
CID 129399538
1-[[1-(4-fluorophenyl)-2-methoxyethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154782276
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124512423
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009381
(2S)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99825232
N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide
CID 154751009
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122012361) is 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is COCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCO1.
What is the InChIKey of 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UXXZYATZFPEVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(12(17)18)5-6-16(9-14)13(19)15-10(8-20-2)11-4-3-7-21-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122012361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).