2-acetamido-N-[(1S)-1-cyanoethyl]propanamide

C8H13N3O2 — CID 59878892

IUPAC2-acetamido-N-[(1S)-1-cyanoethyl]propanamide
SMILESCC(=O)NC(C)C(=O)N[C@@H](C)C#N
InChIInChI=1S/C8H13N3O2/c1-5(4-9)10-8(13)6(2)11-7(3)12/h5-6H,1-3H3,(H,10,13)(H,11,12)/t5-,6?/m0/s1
InChIKeyOAPQFRZGLKERCS-ZBHICJROSA-N
MW183.21 g/mol
LogP-0.46
Rot. Bonds3

About 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide

2-acetamido-N-[(1S)-1-cyanoethyl]propanamide (PubChem CID 59878892) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1S)-1-cyanoethyl]propanamide
PubChem CID59878892
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-acetamido-N-[(1S)-1-cyanoethyl]propanamide
SMILESCC(=O)NC(C)C(=O)N[C@@H](C)C#N
InChIInChI=1S/C8H13N3O2/c1-5(4-9)10-8(13)6(2)11-7(3)12/h5-6H,1-3H3,(H,10,13)(H,11,12)/t5-,6?/m0/s1
InChIKeyOAPQFRZGLKERCS-ZBHICJROSA-N
XLogP-0.46
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
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L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
Alanine anhydride, trans-(A+-)-
CID 676438
2-cyano-N-(propan-2-yl)acetamide
CID 735795
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
D-Alanine anhydride
CID 676439
(3S)-3-methylpiperazine-2,5-dione
CID 7408474
N,N'-diisopropyloxamide
CID 245845
2-Acetamidopropanamide
CID 152381

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide?
The IUPAC name of 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide (CID 59878892) is 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide?
The canonical SMILES for 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide is CC(=O)NC(C)C(=O)N[C@@H](C)C#N.
What is the InChIKey of 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide?
The InChIKey is OAPQFRZGLKERCS-ZBHICJROSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(4-9)10-8(13)6(2)11-7(3)12/h5-6H,1-3H3,(H,10,13)(H,11,12)/t5-,6?/m0/s1.
What are the key properties of 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide?
2-acetamido-N-[(1S)-1-cyanoethyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1S)-1-cyanoethyl]propanamide is sourced from PubChem (CID 59878892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).