methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate

C10H19NO5 — CID 79345601

IUPACmethyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
SMILESCCC(C)C(NC(=O)OCCO)C(=O)OC
InChIInChI=1S/C10H19NO5/c1-4-7(2)8(9(13)15-3)11-10(14)16-6-5-12/h7-8,12H,4-6H2,1-3H3,(H,11,14)
InChIKeyCIBGAZZCNBHWIY-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.29
Rot. Bonds6

About methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate

methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate (PubChem CID 79345601) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
PubChem CID79345601
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
SMILESCCC(C)C(NC(=O)OCCO)C(=O)OC
InChIInChI=1S/C10H19NO5/c1-4-7(2)8(9(13)15-3)11-10(14)16-6-5-12/h7-8,12H,4-6H2,1-3H3,(H,11,14)
InChIKeyCIBGAZZCNBHWIY-UHFFFAOYSA-N
XLogP0.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
dodecyl 2-(2-methoxyethoxycarbonylamino)-3-methylpentanoate
CID 91730145
dodecyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424684
methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
CID 94234133
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
CID 79348986
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
octyl (2S)-2-(methoxycarbonylamino)-3-methylpentanoate
CID 20837054
hexyl (2S)-2-(methoxycarbonylamino)-3-methylpentanoate
CID 20837053

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate?
The IUPAC name of methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate (CID 79345601) is methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate is CCC(C)C(NC(=O)OCCO)C(=O)OC.
What is the InChIKey of methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate?
The InChIKey is CIBGAZZCNBHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-4-7(2)8(9(13)15-3)11-10(14)16-6-5-12/h7-8,12H,4-6H2,1-3H3,(H,11,14).
What are the key properties of methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate?
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate has a molecular weight of 233.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate is sourced from PubChem (CID 79345601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).