methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate

C13H24N2O3 — CID 55164952

IUPACmethyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCC1(C(=O)N(CC(=O)OC)C(C)C)CCNC1
InChIInChI=1S/C13H24N2O3/c1-5-13(6-7-14-9-13)12(17)15(10(2)3)8-11(16)18-4/h10,14H,5-9H2,1-4H3
InChIKeyCZHNOWYURSYFNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 55164952) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID55164952
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCC1(C(=O)N(CC(=O)OC)C(C)C)CCNC1
InChIInChI=1S/C13H24N2O3/c1-5-13(6-7-14-9-13)12(17)15(10(2)3)8-11(16)18-4/h10,14H,5-9H2,1-4H3
InChIKeyCZHNOWYURSYFNA-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate 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 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
CID 63131353
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131759
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide
CID 114277114
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate (CID 55164952) is methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate is CCC1(C(=O)N(CC(=O)OC)C(C)C)CCNC1.
What is the InChIKey of methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is CZHNOWYURSYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(6-7-14-9-13)12(17)15(10(2)3)8-11(16)18-4/h10,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).