methyl 3-(oxan-4-ylamino)propanoate

C9H17NO3 — CID 43608622

IUPACmethyl 3-(oxan-4-ylamino)propanoate
SMILESCOC(=O)CCNC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h8,10H,2-7H2,1H3
InChIKeyPGIDVGDAPLULBT-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About methyl 3-(oxan-4-ylamino)propanoate

methyl 3-(oxan-4-ylamino)propanoate (PubChem CID 43608622) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-(oxan-4-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxan-4-ylamino)propanoate
PubChem CID43608622
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-(oxan-4-ylamino)propanoate
SMILESCOC(=O)CCNC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h8,10H,2-7H2,1H3
InChIKeyPGIDVGDAPLULBT-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-((propan-2-yl)amino)propanoate
CID 12636111
Ethyl 3-(cyclohexylamino)propanoate
CID 243063
Ethyl 3-(propylamino)butanoate
CID 242423
Ethyl 3-(propylamino)propanoate
CID 14542866
Ethyl (tetrahydro-2h-pyran-4-yl)glycinate
CID 43610081
Ethyl 3-(cyclopropylamino)butanoate
CID 61717813
Ethyl 4,4,4-trifluoro-3-(oxan-4-ylamino)butanoate
CID 118454598
Ethyl 3-fluoro-3-(propan-2-ylamino)propanoate
CID 174631550
Ethyl 3-(cyclohexylamino)butanoate
CID 242424
Ethyl 3-(propan-2-ylamino)butanoate
CID 9989709
Ethyl 3-(cyclopropylamino)pentanoate
CID 154585687
Methyl 3-(propan-2-ylamino)butanoate
CID 12636117

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-4-ylamino)propanoate?
The IUPAC name of methyl 3-(oxan-4-ylamino)propanoate (CID 43608622) is methyl 3-(oxan-4-ylamino)propanoate.
What is the SMILES notation for methyl 3-(oxan-4-ylamino)propanoate?
The canonical SMILES for methyl 3-(oxan-4-ylamino)propanoate is COC(=O)CCNC1CCOCC1.
What is the InChIKey of methyl 3-(oxan-4-ylamino)propanoate?
The InChIKey is PGIDVGDAPLULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-(oxan-4-ylamino)propanoate?
methyl 3-(oxan-4-ylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-4-ylamino)propanoate is sourced from PubChem (CID 43608622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).