ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate

C12H25NO3 — CID 106115101

IUPACethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
SMILESCCCC(CCO)CNC(C)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-4-6-11(7-8-14)9-13-10(3)12(15)16-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPNMDWOQJXYNDRV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds9

About ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate

ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate (PubChem CID 106115101) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
PubChem CID106115101
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
SMILESCCCC(CCO)CNC(C)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-4-6-11(7-8-14)9-13-10(3)12(15)16-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyPNMDWOQJXYNDRV-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
CID 172703702
CID 172703702
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
CID 115725383
methyl 2-[2-(2-hydroxyethyl)pentylamino]hexanoate
CID 106115807
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
CID 63964742
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
CID 61498686
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate?
The IUPAC name of ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate (CID 106115101) is ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate is CCCC(CCO)CNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate?
The InChIKey is PNMDWOQJXYNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-6-11(7-8-14)9-13-10(3)12(15)16-5-2/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate?
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate is sourced from PubChem (CID 106115101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).