ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate

C14H28N2O2 — CID 106614541

IUPACethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
SMILESCCOC(=O)C(C)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-14(17)12(4)9-16(11(2)3)10-13-7-6-8-15-13/h11-13,15H,5-10H2,1-4H3
InChIKeyQKEALHXMGGACIH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate

ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate (PubChem CID 106614541) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
PubChem CID106614541
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
SMILESCCOC(=O)C(C)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-14(17)12(4)9-16(11(2)3)10-13-7-6-8-15-13/h11-13,15H,5-10H2,1-4H3
InChIKeyQKEALHXMGGACIH-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614420
N-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate (CID 106614541) is ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate is CCOC(=O)C(C)CN(CC1CCCN1)C(C)C.
What is the InChIKey of ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate?
The InChIKey is QKEALHXMGGACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-14(17)12(4)9-16(11(2)3)10-13-7-6-8-15-13/h11-13,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate?
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 106614541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).