1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C12H22N2O3 — CID 63032946

IUPAC1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-9(3)13-12(17)14-5-4-10(7-14)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLBYJAOKVVOVOSS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032946) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63032946
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-9(3)13-12(17)14-5-4-10(7-14)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLBYJAOKVVOVOSS-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032091
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 104829352
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
1-[1-(3-fluoro-5-methoxyphenyl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122017056
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63032946) is 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CC(C)CC(C)NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LBYJAOKVVOVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)6-9(3)13-12(17)14-5-4-10(7-14)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).