methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride

C12H23ClN2O3 — CID 70062409

IUPACmethyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCN1C(=O)C(N)CC(C)C.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-8(2)7-9(13)11(15)14-6-4-5-10(14)12(16)17-3;/h8-10H,4-7,13H2,1-3H3;1H
InChIKeyIPKGVMIDBCLKTD-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.95
Rot. Bonds4

About methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride

methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 70062409) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID70062409
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Namemethyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCN1C(=O)C(N)CC(C)C.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-8(2)7-9(13)11(15)14-6-4-5-10(14)12(16)17-3;/h8-10H,4-7,13H2,1-3H3;1H
InChIKeyIPKGVMIDBCLKTD-UHFFFAOYSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 24838464
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride (CID 70062409) is methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride is COC(=O)C1CCCN1C(=O)C(N)CC(C)C.Cl.
What is the InChIKey of methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is IPKGVMIDBCLKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-8(2)7-9(13)11(15)14-6-4-5-10(14)12(16)17-3;/h8-10H,4-7,13H2,1-3H3;1H.
What are the key properties of methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride?
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 70062409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).