1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C13H24N2O3 — CID 63925924

IUPAC1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)6-7-10(3)14-13(18)15-8-4-5-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKYNXTFDRPVPQLY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 63925924) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID63925924
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)6-7-10(3)14-13(18)15-8-4-5-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKYNXTFDRPVPQLY-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
(2R)-1-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104874921
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 54954740

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 63925924) is 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(C)CCC(C)NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KYNXTFDRPVPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)6-7-10(3)14-13(18)15-8-4-5-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63925924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).