propan-2-yl (2S)-2-acetamidopentanoate

C10H19NO3 — CID 90680449

IUPACpropan-2-yl (2S)-2-acetamidopentanoate
SMILESCCC[C@H](NC(C)=O)C(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-9(11-8(4)12)10(13)14-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyDOXBERJIILYJNF-VIFPVBQESA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds5

About propan-2-yl (2S)-2-acetamidopentanoate

propan-2-yl (2S)-2-acetamidopentanoate (PubChem CID 90680449) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl (2S)-2-acetamidopentanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-acetamidopentanoate
PubChem CID90680449
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl (2S)-2-acetamidopentanoate
SMILESCCC[C@H](NC(C)=O)C(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-9(11-8(4)12)10(13)14-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyDOXBERJIILYJNF-VIFPVBQESA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
propan-2-yl 2-acetamido-3-hydroxypropanoate
CID 75094884
(3S)-3-acetamido-4-oxo-4-propan-2-yloxybutanoic acid
CID 71355612
2-acetamidopentanamide
CID 23273489
1-O,1-O-diethyl 2-O-propan-2-yl 2-acetamidoethane-1,1,2-tricarboxylate
CID 102516667
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
ethyl (2S)-2-acetamido-5-bromooctanoate
CID 86653823
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-acetamidopentanoate?
The IUPAC name of propan-2-yl (2S)-2-acetamidopentanoate (CID 90680449) is propan-2-yl (2S)-2-acetamidopentanoate.
What is the SMILES notation for propan-2-yl (2S)-2-acetamidopentanoate?
The canonical SMILES for propan-2-yl (2S)-2-acetamidopentanoate is CCC[C@H](NC(C)=O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-acetamidopentanoate?
The InChIKey is DOXBERJIILYJNF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-9(11-8(4)12)10(13)14-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-acetamidopentanoate?
propan-2-yl (2S)-2-acetamidopentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-acetamidopentanoate is sourced from PubChem (CID 90680449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).