methyl 2-[3-aminobutanoyl(propyl)amino]acetate

C10H20N2O3 — CID 60946687

IUPACmethyl 2-[3-aminobutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CC(C)N
InChIInChI=1S/C10H20N2O3/c1-4-5-12(7-10(14)15-3)9(13)6-8(2)11/h8H,4-7,11H2,1-3H3
InChIKeyRDKCRPXPOHKMIM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.14
Rot. Bonds6

About methyl 2-[3-aminobutanoyl(propyl)amino]acetate

methyl 2-[3-aminobutanoyl(propyl)amino]acetate (PubChem CID 60946687) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[3-aminobutanoyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-aminobutanoyl(propyl)amino]acetate
PubChem CID60946687
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[3-aminobutanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CC(C)N
InChIInChI=1S/C10H20N2O3/c1-4-5-12(7-10(14)15-3)9(13)6-8(2)11/h8H,4-7,11H2,1-3H3
InChIKeyRDKCRPXPOHKMIM-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,N-dipropylbutanamide
CID 60836307
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
CID 71879865
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-aminobutanoyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[3-aminobutanoyl(propyl)amino]acetate (CID 60946687) is methyl 2-[3-aminobutanoyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[3-aminobutanoyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[3-aminobutanoyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)CC(C)N.
What is the InChIKey of methyl 2-[3-aminobutanoyl(propyl)amino]acetate?
The InChIKey is RDKCRPXPOHKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-12(7-10(14)15-3)9(13)6-8(2)11/h8H,4-7,11H2,1-3H3.
What are the key properties of methyl 2-[3-aminobutanoyl(propyl)amino]acetate?
methyl 2-[3-aminobutanoyl(propyl)amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-aminobutanoyl(propyl)amino]acetate is sourced from PubChem (CID 60946687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).