methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate

C14H28N2O2 — CID 113418645

IUPACmethyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCC1CCN(CC(C)(NC(C)C)C(=O)OC)C1
InChIInChI=1S/C14H28N2O2/c1-6-12-7-8-16(9-12)10-14(4,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyPYGCEVWXGYQQPT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate

methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 113418645) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID113418645
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCC1CCN(CC(C)(NC(C)C)C(=O)OC)C1
InChIInChI=1S/C14H28N2O2/c1-6-12-7-8-16(9-12)10-14(4,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyPYGCEVWXGYQQPT-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-methyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530829
Methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate
CID 23388627
Methyl 2-{[2-(pyrrolidin-1-yl)ethyl]amino}propanoate
CID 59822519
methyl (2S)-3-amino-2-pyrrolidin-1-ylpropanoate
CID 67495200
Methyl 2-[(1-tert-butylpyrrolidin-3-yl)methylamino]-2-methylpropanoate
CID 130205657
2-[Methyl-[(3-methylpyrrolidin-2-yl)methyl]amino]acetic acid
CID 172334275
Methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
Methyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylpropanoate
CID 43398377
Methyl 2-[2-ethylbutyl(pyrrolidine-2-carbonyl)amino]acetate
CID 54871316
Ethyl 3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 55040236
Methyl 3-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 55040282
Methyl 3-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)propanoate
CID 55040380

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate (CID 113418645) is methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate is CCC1CCN(CC(C)(NC(C)C)C(=O)OC)C1.
What is the InChIKey of methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is PYGCEVWXGYQQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12-7-8-16(9-12)10-14(4,13(17)18-5)15-11(2)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate?
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 113418645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).