ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate

C13H25NO3 — CID 114756588

IUPACethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
SMILESCCCC(NCC1(CCO)CC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-5-11(12(16)17-4-2)14-10-13(6-7-13)8-9-15/h11,14-15H,3-10H2,1-2H3
InChIKeyNNUQPNRTHUCKOG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds9

About ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate

ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate (PubChem CID 114756588) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
PubChem CID114756588
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
SMILESCCCC(NCC1(CCO)CC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-5-11(12(16)17-4-2)14-10-13(6-7-13)8-9-15/h11,14-15H,3-10H2,1-2H3
InChIKeyNNUQPNRTHUCKOG-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
CID 83041957
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
ethyl 2-(3-methylbut-2-enylamino)pentanoate
CID 103520467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate?
The IUPAC name of ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate (CID 114756588) is ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate?
The canonical SMILES for ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate is CCCC(NCC1(CCO)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate?
The InChIKey is NNUQPNRTHUCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-5-11(12(16)17-4-2)14-10-13(6-7-13)8-9-15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate?
ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate is sourced from PubChem (CID 114756588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).