methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride

C7H15ClN2O3 — CID 134691042

IUPACmethyl 3-(3-aminopropanoylamino)propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)CCN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-12-7(11)3-5-9-6(10)2-4-8;/h2-5,8H2,1H3,(H,9,10);1H
InChIKeyRIIGDOGMGZAJHL-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.56
Rot. Bonds5

About methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride

methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride (PubChem CID 134691042) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-aminopropanoylamino)propanoate;hydrochloride
PubChem CID134691042
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Namemethyl 3-(3-aminopropanoylamino)propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)CCN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-12-7(11)3-5-9-6(10)2-4-8;/h2-5,8H2,1H3,(H,9,10);1H
InChIKeyRIIGDOGMGZAJHL-UHFFFAOYSA-N
XLogP-0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Aminopropanoylamino)propanoic acid
CID 263465
beta-Alanine, N-carbamoyl-, methyl ester
CID 60703115
methyl 3-(3-amino-N-methylpropanamido)propanoate hydrochloride
CID 146049090
methyl 3-(N-methyl-3-(methylamino)propanamido)propanoate hydrochloride
CID 155820097
methyl 3-(2-amino-N-methylacetamido)propanoate hydrochloride
CID 155943319
Methyl 3-[3-(dimethylamino)propanamido]propanoate
CID 165887053
Butanoic acid, 3-(acetylamino)-, methyl ester
CID 9834032
methyl (R)-N-acetyl-3-aminobutyrate
CID 11275152
Butanoic acid, 3-(acetylamino)-, methyl ester, (3S)-
CID 11367160
Methyl 3-(2,2,2-Trifluoroacetamido)propanoate
CID 13818506
3-Acetamidopropanoate
CID 6950953
Ethyl 3-(propanoylamino)propanoate
CID 44769637

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride?
The IUPAC name of methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride (CID 134691042) is methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride is COC(=O)CCNC(=O)CCN.Cl.
What is the InChIKey of methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride?
The InChIKey is RIIGDOGMGZAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c1-12-7(11)3-5-9-6(10)2-4-8;/h2-5,8H2,1H3,(H,9,10);1H.
What are the key properties of methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride?
methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopropanoylamino)propanoate;hydrochloride is sourced from PubChem (CID 134691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).