1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

C10H18N2O3 — CID 63031885

IUPAC1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-10(15)12-4-3-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyZAFIXTGTCOLGIT-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031885) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63031885
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7(2)5-11-10(15)12-4-3-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyZAFIXTGTCOLGIT-UHFFFAOYSA-N
XLogP0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
1-(2-phenylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122004198
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164556104
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63031885) is 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is CC(C)CNC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZAFIXTGTCOLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)5-11-10(15)12-4-3-8(6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).