ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate

C9H17NO5 — CID 71749117

IUPACethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
SMILESCCOC(=O)CCC(CO)NC(=O)OC
InChIInChI=1S/C9H17NO5/c1-3-15-8(12)5-4-7(6-11)10-9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyJWLAVKHZMHBLHV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.05
Rot. Bonds6

About ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate

ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate (PubChem CID 71749117) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
PubChem CID71749117
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Nameethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
SMILESCCOC(=O)CCC(CO)NC(=O)OC
InChIInChI=1S/C9H17NO5/c1-3-15-8(12)5-4-7(6-11)10-9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyJWLAVKHZMHBLHV-UHFFFAOYSA-N
XLogP0.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157026850
diethyl 4-(methylamino)heptanedioate
CID 88543894
ethyl 4-acetamidohexanoate
CID 173385826
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
4-O-ethyl 1-O-methyl butanedioate
CID 522068
5-O-ethyl 1-O-methyl 2-ethoxypentanedioate
CID 172723859
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
CID 61246589
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-iodoheptanedioate
CID 102577942
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate?
The IUPAC name of ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate (CID 71749117) is ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate is CCOC(=O)CCC(CO)NC(=O)OC.
What is the InChIKey of ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate?
The InChIKey is JWLAVKHZMHBLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-3-15-8(12)5-4-7(6-11)10-9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate?
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate has a molecular weight of 219.24 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate is sourced from PubChem (CID 71749117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).