methyl 4-amino-3-(cyclopropylamino)butanoate

C8H16N2O2 — CID 105435205

IUPACmethyl 4-amino-3-(cyclopropylamino)butanoate
SMILESCOC(=O)CC(CN)NC1CC1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)4-7(5-9)10-6-2-3-6/h6-7,10H,2-5,9H2,1H3
InChIKeyCISPTLYCMPBADF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds5

About methyl 4-amino-3-(cyclopropylamino)butanoate

methyl 4-amino-3-(cyclopropylamino)butanoate (PubChem CID 105435205) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 4-amino-3-(cyclopropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(cyclopropylamino)butanoate
PubChem CID105435205
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 4-amino-3-(cyclopropylamino)butanoate
SMILESCOC(=O)CC(CN)NC1CC1
InChIInChI=1S/C8H16N2O2/c1-12-8(11)4-7(5-9)10-6-2-3-6/h6-7,10H,2-5,9H2,1H3
InChIKeyCISPTLYCMPBADF-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(cyclopropylamino)butanoate?
The IUPAC name of methyl 4-amino-3-(cyclopropylamino)butanoate (CID 105435205) is methyl 4-amino-3-(cyclopropylamino)butanoate.
What is the SMILES notation for methyl 4-amino-3-(cyclopropylamino)butanoate?
The canonical SMILES for methyl 4-amino-3-(cyclopropylamino)butanoate is COC(=O)CC(CN)NC1CC1.
What is the InChIKey of methyl 4-amino-3-(cyclopropylamino)butanoate?
The InChIKey is CISPTLYCMPBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-8(11)4-7(5-9)10-6-2-3-6/h6-7,10H,2-5,9H2,1H3.
What are the key properties of methyl 4-amino-3-(cyclopropylamino)butanoate?
methyl 4-amino-3-(cyclopropylamino)butanoate has a molecular weight of 172.23 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(cyclopropylamino)butanoate is sourced from PubChem (CID 105435205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).