ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H19NO4 — CID 15933116

IUPACethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-5-14-8(12)6-7-11-9(13)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyPARMXQJJKOUVHS-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds4

About ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 15933116) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID15933116
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-5-14-8(12)6-7-11-9(13)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyPARMXQJJKOUVHS-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
octyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59559115
2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14542366
ethyl 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442125
ethyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioyl]amino]propanoate
CID 84557596
ethyl (E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 143719644
tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
CID 127591993
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
diethyl 2-aminopentanedioate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 91573357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 15933116) is ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCOC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is PARMXQJJKOUVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-14-8(12)6-7-11-9(13)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 15933116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).