2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide

C10H19N3O2 — CID 176672184

IUPAC2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide
SMILES[H]/N=C/C(C)NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C10H19N3O2/c1-6(2)9(13-8(4)14)10(15)12-7(3)5-11/h5-7,9,11H,1-4H3,(H,12,15)(H,13,14)/b11-5+
InChIKeyLFIQDNYIKDHYAE-VZUCSPMQSA-N
MW213.28 g/mol
LogP0.30
Rot. Bonds5

About 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide

2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide (PubChem CID 176672184) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide
PubChem CID176672184
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide
SMILES[H]/N=C/C(C)NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C10H19N3O2/c1-6(2)9(13-8(4)14)10(15)12-7(3)5-11/h5-7,9,11H,1-4H3,(H,12,15)(H,13,14)/b11-5+
InChIKeyLFIQDNYIKDHYAE-VZUCSPMQSA-N
XLogP0.30
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
N-Acetyl L-valinamide
CID 142227
[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
CID 72200713
Ac-val-nh2
CID 7021426
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
(2S)-2-amino-N-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]-3-methylbutanamide
CID 10782706
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
CID 7019980
2-acetamido-N-cyclopropyl-3-methylbutanamide
CID 4852101

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide (CID 176672184) is 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide is [H]/N=C/C(C)NC(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide?
The InChIKey is LFIQDNYIKDHYAE-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)9(13-8(4)14)10(15)12-7(3)5-11/h5-7,9,11H,1-4H3,(H,12,15)(H,13,14)/b11-5+.
What are the key properties of 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide?
2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide has a molecular weight of 213.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 176672184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).