ethyl (3S)-3-acetamido-4-methylpentanoate

C10H19NO3 — CID 11356125

IUPACethyl (3S)-3-acetamido-4-methylpentanoate
SMILESCCOC(=O)C[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-10(13)6-9(7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyJECBJUZXFXBODH-VIFPVBQESA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds5

About ethyl (3S)-3-acetamido-4-methylpentanoate

ethyl (3S)-3-acetamido-4-methylpentanoate (PubChem CID 11356125) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3S)-3-acetamido-4-methylpentanoate.

Molecular Properties

Compound Nameethyl (3S)-3-acetamido-4-methylpentanoate
PubChem CID11356125
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3S)-3-acetamido-4-methylpentanoate
SMILESCCOC(=O)C[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-10(13)6-9(7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyJECBJUZXFXBODH-VIFPVBQESA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-acetamido-4-methylpentanoate
CID 322674
(S)-Ethyl 2-acetamido-4-methylpentanoate
CID 1549286
beta-Alanine, n-pentafluoropropionyl-, isohexyl ester
CID 91735337
methyl (2R,3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11172980
Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester
CID 9877672
Methyl 3-acetamidopentanoate
CID 9942269
Methyl 3-acetamido-4,4-dimethylpentanoate
CID 9942435
ethyl (3S)-3-acetamidobutanoate
CID 10678795
Ctk4D9680
CID 11321237
methyl (3R)-3-acetamidopentanoate
CID 11446607
methyl (2S,3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11448318
Methyl 3-acetamido-5-methylhexanoate
CID 11637028

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-acetamido-4-methylpentanoate?
The IUPAC name of ethyl (3S)-3-acetamido-4-methylpentanoate (CID 11356125) is ethyl (3S)-3-acetamido-4-methylpentanoate.
What is the SMILES notation for ethyl (3S)-3-acetamido-4-methylpentanoate?
The canonical SMILES for ethyl (3S)-3-acetamido-4-methylpentanoate is CCOC(=O)C[C@H](NC(C)=O)C(C)C.
What is the InChIKey of ethyl (3S)-3-acetamido-4-methylpentanoate?
The InChIKey is JECBJUZXFXBODH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-14-10(13)6-9(7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1.
What are the key properties of ethyl (3S)-3-acetamido-4-methylpentanoate?
ethyl (3S)-3-acetamido-4-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-acetamido-4-methylpentanoate is sourced from PubChem (CID 11356125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).