ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate

C13H26N2O2 — CID 170885076

IUPACethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate
SMILESCCOC(=O)C(N)CC1(CN(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-17-12(16)11(14)9-13(10-15(2)3)7-5-6-8-13/h11H,4-10,14H2,1-3H3
InChIKeyZZMMXDHWFGYIQY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate

ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate (PubChem CID 170885076) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate
PubChem CID170885076
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate
SMILESCCOC(=O)C(N)CC1(CN(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-17-12(16)11(14)9-13(10-15(2)3)7-5-6-8-13/h11H,4-10,14H2,1-3H3
InChIKeyZZMMXDHWFGYIQY-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2R)-2-amino-3-(2-amino-3-ethoxy-3-oxopropyl)sulfinothioylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate (CID 170885076) is ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate is CCOC(=O)C(N)CC1(CN(C)C)CCCC1.
What is the InChIKey of ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate?
The InChIKey is ZZMMXDHWFGYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-12(16)11(14)9-13(10-15(2)3)7-5-6-8-13/h11H,4-10,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate?
ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[1-[(dimethylamino)methyl]cyclopentyl]propanoate is sourced from PubChem (CID 170885076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).