methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate

C9H18N2O3 — CID 60946562

IUPACmethyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)CCN)C(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)11(6-9(13)14-3)8(12)4-5-10/h7H,4-6,10H2,1-3H3
InChIKeyHRBJCUCGZBPCHB-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.25
Rot. Bonds5

About methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate

methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate (PubChem CID 60946562) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
PubChem CID60946562
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)CCN)C(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)11(6-9(13)14-3)8(12)4-5-10/h7H,4-6,10H2,1-3H3
InChIKeyHRBJCUCGZBPCHB-UHFFFAOYSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]acetate
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methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
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methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
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methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
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methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
methyl 2-[3-phenylsulfanylpropanoyl(propan-2-yl)amino]acetate
CID 60767024
3-amino-N-propan-2-yl-N-propylpropanamide
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methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
CID 60779371
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate (CID 60946562) is methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate is COC(=O)CN(C(=O)CCN)C(C)C.
What is the InChIKey of methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate?
The InChIKey is HRBJCUCGZBPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(2)11(6-9(13)14-3)8(12)4-5-10/h7H,4-6,10H2,1-3H3.
What are the key properties of methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate?
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 60946562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).