methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate

C12H22N2O3 — CID 63143463

IUPACmethyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
SMILESCCCC1(C(=O)N(C)CC(=O)OC)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-9-12)11(16)14(2)8-10(15)17-3/h13H,4-9H2,1-3H3
InChIKeyLFXKKAJPNNOUMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds5

About methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate

methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate (PubChem CID 63143463) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
PubChem CID63143463
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
SMILESCCCC1(C(=O)N(C)CC(=O)OC)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-9-12)11(16)14(2)8-10(15)17-3/h13H,4-9H2,1-3H3
InChIKeyLFXKKAJPNNOUMI-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143518
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63866435
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 55226836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate (CID 63143463) is methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate is CCCC1(C(=O)N(C)CC(=O)OC)CCNC1.
What is the InChIKey of methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate?
The InChIKey is LFXKKAJPNNOUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-9-12)11(16)14(2)8-10(15)17-3/h13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate?
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 63143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).