ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate

C11H21NO3 — CID 62518465

IUPACethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1(CO)CCCC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(14)9(2)12-11(8-13)6-4-5-7-11/h9,12-13H,3-8H2,1-2H3
InChIKeySVYNSXJCGNBROE-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate

ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate (PubChem CID 62518465) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
PubChem CID62518465
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1(CO)CCCC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(14)9(2)12-11(8-13)6-4-5-7-11/h9,12-13H,3-8H2,1-2H3
InChIKeySVYNSXJCGNBROE-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
methyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]hexanoate
CID 103249119
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
1-(azepan-1-yl)-2-[[1-(hydroxymethyl)cyclopentyl]amino]propan-1-one
CID 62518829
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
[1-(pentan-3-ylamino)cyclopentyl]methanol
CID 78991037
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
CID 55082317
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate?
The IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate (CID 62518465) is ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate is CCOC(=O)C(C)NC1(CO)CCCC1.
What is the InChIKey of ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate?
The InChIKey is SVYNSXJCGNBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-10(14)9(2)12-11(8-13)6-4-5-7-11/h9,12-13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate?
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate is sourced from PubChem (CID 62518465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).