methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate

C12H22N2O3 — CID 18411452

IUPACmethyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(C)C(N)C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-8(2)10(13)11(15)14-7-5-6-9(14)12(16)17-3/h8-10H,4-7,13H2,1-3H3
InChIKeyBASVVINIBFXIGN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.52
Rot. Bonds4

About methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate

methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate (PubChem CID 18411452) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
PubChem CID18411452
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(C)C(N)C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-8(2)10(13)11(15)14-7-5-6-9(14)12(16)17-3/h8-10H,4-7,13H2,1-3H3
InChIKeyBASVVINIBFXIGN-UHFFFAOYSA-N
XLogP0.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167995084
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
2-amino-3-methyl-1-[2-(pyrrolidine-2-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 21076494
2-O-methyl 1-O-(2-methylbutyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 71175306
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 18221870

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate (CID 18411452) is methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate is CCC(C)C(N)C(=O)N1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate?
The InChIKey is BASVVINIBFXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-8(2)10(13)11(15)14-7-5-6-9(14)12(16)17-3/h8-10H,4-7,13H2,1-3H3.
What are the key properties of methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate?
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.52, 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-3-methylpentanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 18411452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).