ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate

C13H24N2O3 — CID 54916791

IUPACethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(N)C1CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-18-11(16)8-15(9(2)3)12(17)13(4,14)10-6-7-10/h9-10H,5-8,14H2,1-4H3
InChIKeyUGSBBKRKKZPOBK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.91
Rot. Bonds6

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

ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate (PubChem CID 54916791) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
PubChem CID54916791
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(N)C1CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-18-11(16)8-15(9(2)3)12(17)13(4,14)10-6-7-10/h9-10H,5-8,14H2,1-4H3
InChIKeyUGSBBKRKKZPOBK-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-propan-2-yl-N-propylpropanamide
CID 60867147
3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
CID 61162059
ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
CID 103760799
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
2-amino-2-cyclopropyl-N-methyl-N-(2-methylpropyl)propanamide
CID 60867332
2-amino-2-cyclopropyl-N-methyl-N-(2-methylbutyl)propanamide
CID 60867524
2-amino-2-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 60939188
ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
CID 61022550
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-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate (CID 54916791) is ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C(C)(N)C1CC1)C(C)C.
What is the InChIKey of ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate?
The InChIKey is UGSBBKRKKZPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-18-11(16)8-15(9(2)3)12(17)13(4,14)10-6-7-10/h9-10H,5-8,14H2,1-4H3.
What are the key properties of ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate?
ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54916791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).