1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 122004608

IUPAC1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-13(2)10(8-15(13,4)21-5)16-12(20)17-7-6-14(3,9-17)11(18)19/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyWCKLLKKCIKQROR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds3

About 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122004608) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122004608
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-13(2)10(8-15(13,4)21-5)16-12(20)17-7-6-14(3,9-17)11(18)19/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyWCKLLKKCIKQROR-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83029338
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015648
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149031
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147544
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
3-methyl-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002497

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122004608) is 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is COC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)C1(C)C.
What is the InChIKey of 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WCKLLKKCIKQROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-13(2)10(8-15(13,4)21-5)16-12(20)17-7-6-14(3,9-17)11(18)19/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122004608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).