methyl 3-[(3-aminocyclohexyl)amino]propanoate

C10H20N2O2 — CID 79458540

IUPACmethyl 3-[(3-aminocyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)5-6-12-9-4-2-3-8(11)7-9/h8-9,12H,2-7,11H2,1H3
InChIKeyOWZBWXNZURCFPV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds4

About methyl 3-[(3-aminocyclohexyl)amino]propanoate

methyl 3-[(3-aminocyclohexyl)amino]propanoate (PubChem CID 79458540) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-[(3-aminocyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminocyclohexyl)amino]propanoate
PubChem CID79458540
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-[(3-aminocyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)5-6-12-9-4-2-3-8(11)7-9/h8-9,12H,2-7,11H2,1H3
InChIKeyOWZBWXNZURCFPV-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminocyclohexyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-aminocyclohexyl)amino]propanoate (CID 79458540) is methyl 3-[(3-aminocyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-aminocyclohexyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-aminocyclohexyl)amino]propanoate is COC(=O)CCNC1CCCC(N)C1.
What is the InChIKey of methyl 3-[(3-aminocyclohexyl)amino]propanoate?
The InChIKey is OWZBWXNZURCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(13)5-6-12-9-4-2-3-8(11)7-9/h8-9,12H,2-7,11H2,1H3.
What are the key properties of methyl 3-[(3-aminocyclohexyl)amino]propanoate?
methyl 3-[(3-aminocyclohexyl)amino]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminocyclohexyl)amino]propanoate is sourced from PubChem (CID 79458540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).