ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C15H29NO5 — CID 173298296

IUPACethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCOC(=O)C(C)(O)C(CC)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-7-11(15(6,19)12(17)20-8-2)9-10-16-13(18)21-14(3,4)5/h11,19H,7-10H2,1-6H3,(H,16,18)
InChIKeyAMUXVJDFOOVRBO-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.24
Rot. Bonds7

About ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 173298296) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID173298296
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nameethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCOC(=O)C(C)(O)C(CC)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-7-11(15(6,19)12(17)20-8-2)9-10-16-13(18)21-14(3,4)5/h11,19H,7-10H2,1-6H3,(H,16,18)
InChIKeyAMUXVJDFOOVRBO-UHFFFAOYSA-N
XLogP2.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl N-[3-(2,2-dimethylpropyl)-6-hydroxy-4,4,6-trimethylheptyl]carbamate
CID 142859030
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
ethyl 3-hydroxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88937635
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
CID 50986501
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
tert-butyl N-(3-aminooxyhexyl)carbamate
CID 105491431
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
[6-ethyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oct-4-enyl]carbamic acid
CID 135222474
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 173298296) is ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CCOC(=O)C(C)(O)C(CC)CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is AMUXVJDFOOVRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-7-11(15(6,19)12(17)20-8-2)9-10-16-13(18)21-14(3,4)5/h11,19H,7-10H2,1-6H3,(H,16,18).
What are the key properties of ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 303.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 173298296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).