methyl 3-(cyclohexylamino)propanoate

C10H19NO2 — CID 11458109

IUPACmethyl 3-(cyclohexylamino)propanoate
SMILESCOC(=O)CCNC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h9,11H,2-8H2,1H3
InChIKeyCWBUBKYPXOLPCF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-(cyclohexylamino)propanoate

methyl 3-(cyclohexylamino)propanoate (PubChem CID 11458109) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)propanoate
PubChem CID11458109
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-(cyclohexylamino)propanoate
SMILESCOC(=O)CCNC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h9,11H,2-8H2,1H3
InChIKeyCWBUBKYPXOLPCF-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)propanoate?
The IUPAC name of methyl 3-(cyclohexylamino)propanoate (CID 11458109) is methyl 3-(cyclohexylamino)propanoate.
What is the SMILES notation for methyl 3-(cyclohexylamino)propanoate?
The canonical SMILES for methyl 3-(cyclohexylamino)propanoate is COC(=O)CCNC1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexylamino)propanoate?
The InChIKey is CWBUBKYPXOLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h9,11H,2-8H2,1H3.
What are the key properties of methyl 3-(cyclohexylamino)propanoate?
methyl 3-(cyclohexylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)propanoate is sourced from PubChem (CID 11458109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).