methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate

C12H24N2O2 — CID 14048585

IUPACmethyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CCCN1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16-3)14-8-10-5-4-6-13-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeyGZBMAZVFLLAKJJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds6

About methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate

methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate (PubChem CID 14048585) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate
PubChem CID14048585
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CCCN1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16-3)14-8-10-5-4-6-13-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeyGZBMAZVFLLAKJJ-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
3-(piperidin-2-ylmethylamino)butanamide
CID 106634453
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
CID 55100278
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106638615
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate (CID 14048585) is methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate is COC(=O)C(CC(C)C)NCC1CCCN1.
What is the InChIKey of methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate?
The InChIKey is GZBMAZVFLLAKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16-3)14-8-10-5-4-6-13-10/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate?
methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate is sourced from PubChem (CID 14048585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).