methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate

C11H22N2O4 — CID 103155156

IUPACmethyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O4/c1-4-5-13(8-11(15)17-3)10(14)6-9(7-12)16-2/h9H,4-8,12H2,1-3H3
InChIKeyRPTBZTXNFNIOSB-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.24
Rot. Bonds8

About methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate

methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate (PubChem CID 103155156) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
PubChem CID103155156
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O4/c1-4-5-13(8-11(15)17-3)10(14)6-9(7-12)16-2/h9H,4-8,12H2,1-3H3
InChIKeyRPTBZTXNFNIOSB-UHFFFAOYSA-N
XLogP-0.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate (CID 103155156) is methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)CC(CN)OC.
What is the InChIKey of methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate?
The InChIKey is RPTBZTXNFNIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-5-13(8-11(15)17-3)10(14)6-9(7-12)16-2/h9H,4-8,12H2,1-3H3.
What are the key properties of methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate?
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate is sourced from PubChem (CID 103155156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).