methyl 3-amino-2-(aminomethyl)propanoate

C5H12N2O2 — CID 22251386

IUPACmethyl 3-amino-2-(aminomethyl)propanoate
SMILESCOC(=O)C(CN)CN
InChIInChI=1S/C5H12N2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3,6-7H2,1H3
InChIKeyFECXFRRSZGZESE-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.31
Rot. Bonds3

About methyl 3-amino-2-(aminomethyl)propanoate

methyl 3-amino-2-(aminomethyl)propanoate (PubChem CID 22251386) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 3-amino-2-(aminomethyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(aminomethyl)propanoate
PubChem CID22251386
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl 3-amino-2-(aminomethyl)propanoate
SMILESCOC(=O)C(CN)CN
InChIInChI=1S/C5H12N2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3,6-7H2,1H3
InChIKeyFECXFRRSZGZESE-UHFFFAOYSA-N
XLogP-1.31
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-azaniumyl-2-methylpropanoate
CID 6971062
3-Azaniumyl-2-methylpropanoate
CID 25201103
(2R)-3-ammonio-2-methylpropanoate
CID 6971064
Methyl 3-aminopropanoate hydrochloride
CID 2734767
Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
Methyl beta-alanate
CID 192794
(S)-3-Aminoisobutyrate
CID 5460213
Methyl 3-amino-2-methylpropanoate
CID 10486829
Methyl 3-amino-2-methylpropanoate hydrochloride
CID 13063725
Ethyl 3-amino-2-methylpropanoate hydrochloride
CID 19611788
methyl (2R)-3-amino-2-methylpropanoate hydrochloride
CID 86749859
Ethyl 3-amino-2-methylpropanoate
CID 11182624

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(aminomethyl)propanoate?
The IUPAC name of methyl 3-amino-2-(aminomethyl)propanoate (CID 22251386) is methyl 3-amino-2-(aminomethyl)propanoate.
What is the SMILES notation for methyl 3-amino-2-(aminomethyl)propanoate?
The canonical SMILES for methyl 3-amino-2-(aminomethyl)propanoate is COC(=O)C(CN)CN.
What is the InChIKey of methyl 3-amino-2-(aminomethyl)propanoate?
The InChIKey is FECXFRRSZGZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3,6-7H2,1H3.
What are the key properties of methyl 3-amino-2-(aminomethyl)propanoate?
methyl 3-amino-2-(aminomethyl)propanoate has a molecular weight of 132.16 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(aminomethyl)propanoate is sourced from PubChem (CID 22251386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).