ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate

C10H19NO3 — CID 115454884

IUPACethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
SMILESCCOC(=O)CCNCC1(CO)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(13)3-6-11-7-10(8-12)4-5-10/h11-12H,2-8H2,1H3
InChIKeyKAGNOFLYZXHGFA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds7

About ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate

ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate (PubChem CID 115454884) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
PubChem CID115454884
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
SMILESCCOC(=O)CCNCC1(CO)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(13)3-6-11-7-10(8-12)4-5-10/h11-12H,2-8H2,1H3
InChIKeyKAGNOFLYZXHGFA-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate (CID 115454884) is ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate is CCOC(=O)CCNCC1(CO)CC1.
What is the InChIKey of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate?
The InChIKey is KAGNOFLYZXHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-9(13)3-6-11-7-10(8-12)4-5-10/h11-12H,2-8H2,1H3.
What are the key properties of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate?
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate is sourced from PubChem (CID 115454884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).