methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate

C12H22N2O3 — CID 63143757

IUPACmethyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(8-10(15)17-3)11(16)12(2)5-6-13-9-12/h13H,4-9H2,1-3H3
InChIKeyFTYQOFKQIVWYMU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds5

About methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate

methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate (PubChem CID 63143757) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
PubChem CID63143757
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(8-10(15)17-3)11(16)12(2)5-6-13-9-12/h13H,4-9H2,1-3H3
InChIKeyFTYQOFKQIVWYMU-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-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 63143846
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140406
N,N-bis(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63130592
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124602
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81489802
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate (CID 63143757) is methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C1(C)CCNC1.
What is the InChIKey of methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate?
The InChIKey is FTYQOFKQIVWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-7-14(8-10(15)17-3)11(16)12(2)5-6-13-9-12/h13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate?
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]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-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate is sourced from PubChem (CID 63143757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).