2-(2-aminopropanoylamino)-3-methylbutanamide

C8H17N3O2 — CID 22282408

IUPAC2-(2-aminopropanoylamino)-3-methylbutanamide
SMILESCC(N)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXIMNOSWWKHYSER-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.04
Rot. Bonds4

About 2-(2-aminopropanoylamino)-3-methylbutanamide

2-(2-aminopropanoylamino)-3-methylbutanamide (PubChem CID 22282408) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-3-methylbutanamide
PubChem CID22282408
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-(2-aminopropanoylamino)-3-methylbutanamide
SMILESCC(N)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXIMNOSWWKHYSER-UHFFFAOYSA-N
XLogP-1.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminopropanoylamino)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-carbamothioyl-3-methylbutanamide
CID 106345624
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-(2-methylpropyl)butanamide
CID 86589155
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
CID 106344993
2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
CID 143299850
2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen
CID 154643081
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-3-methylbutanamide?
The IUPAC name of 2-(2-aminopropanoylamino)-3-methylbutanamide (CID 22282408) is 2-(2-aminopropanoylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(2-aminopropanoylamino)-3-methylbutanamide?
The canonical SMILES for 2-(2-aminopropanoylamino)-3-methylbutanamide is CC(N)C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-(2-aminopropanoylamino)-3-methylbutanamide?
The InChIKey is XIMNOSWWKHYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 2-(2-aminopropanoylamino)-3-methylbutanamide?
2-(2-aminopropanoylamino)-3-methylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-3-methylbutanamide is sourced from PubChem (CID 22282408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).