ethyl 5-acetamido-3-methylpentanoate

C10H19NO3 — CID 91245879

IUPACethyl 5-acetamido-3-methylpentanoate
SMILESCCOC(=O)CC(C)CCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-14-10(13)7-8(2)5-6-11-9(3)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyAPEPZAPHLSHKDI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds6

About ethyl 5-acetamido-3-methylpentanoate

ethyl 5-acetamido-3-methylpentanoate (PubChem CID 91245879) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 5-acetamido-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-acetamido-3-methylpentanoate
PubChem CID91245879
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 5-acetamido-3-methylpentanoate
SMILESCCOC(=O)CC(C)CCNC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-14-10(13)7-8(2)5-6-11-9(3)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyAPEPZAPHLSHKDI-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-methylpentanoate
CID 7567160
diethyl 3-methylheptanedioate
CID 121008602
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
ethyl 7-hydroxy-3-methylheptanoate
CID 15832984
ethyl 4-hydrazinyl-3-methylbutanoate
CID 24836086
ethyl (3R)-3,7,7-trimethyloctanoate
CID 138487370
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
ethyl 3-[[(3S)-6-acetamidohexan-3-yl]amino]propanoate
CID 125469320
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
diethyl propanedioate;3-methylpentane
CID 174912983
N-(3-acetamidobutyl)acetamide
CID 118918333

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-3-methylpentanoate?
The IUPAC name of ethyl 5-acetamido-3-methylpentanoate (CID 91245879) is ethyl 5-acetamido-3-methylpentanoate.
What is the SMILES notation for ethyl 5-acetamido-3-methylpentanoate?
The canonical SMILES for ethyl 5-acetamido-3-methylpentanoate is CCOC(=O)CC(C)CCNC(C)=O.
What is the InChIKey of ethyl 5-acetamido-3-methylpentanoate?
The InChIKey is APEPZAPHLSHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-10(13)7-8(2)5-6-11-9(3)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-acetamido-3-methylpentanoate?
ethyl 5-acetamido-3-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-3-methylpentanoate is sourced from PubChem (CID 91245879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).