1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 114120288

IUPAC1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(NC(=O)N2CCC(C)C2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-7-3-4-14(10(7)11(15)16)12(17)13-8-5-9(6-8)18-2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyZYLDOAMPSPEICB-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds3

About 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 114120288) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID114120288
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(NC(=O)N2CCC(C)C2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-7-3-4-14(10(7)11(15)16)12(17)13-8-5-9(6-8)18-2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyZYLDOAMPSPEICB-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
1-[(2,3-dimethylcyclopentyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782804
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781779
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
3-methyl-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241224
4-methoxy-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197469
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071548
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782877
3-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102783102

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 114120288) is 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is COC1CC(NC(=O)N2CCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is ZYLDOAMPSPEICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7-3-4-14(10(7)11(15)16)12(17)13-8-5-9(6-8)18-2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxycyclobutyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114120288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).