ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate

C12H24N2O3 — CID 113416241

IUPACethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)C(C)N)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-17-11(15)7-14(8(2)3)12(16)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3
InChIKeyGFSVHLZSDOIAKZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds6

About ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate

ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate (PubChem CID 113416241) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
PubChem CID113416241
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)C(C)N)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-17-11(15)7-14(8(2)3)12(16)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3
InChIKeyGFSVHLZSDOIAKZ-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
CID 106112261
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 61022871
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate (CID 113416241) is ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C(C)C(C)N)C(C)C.
What is the InChIKey of ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate?
The InChIKey is GFSVHLZSDOIAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-17-11(15)7-14(8(2)3)12(16)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3.
What are the key properties of ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 113416241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).