(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

C10H21N3O2 — CID 103109126

IUPAC(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H21N3O2/c1-5-8(11)9(14)12-7(3)10(15)13(4)6-2/h7-8H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1
InChIKeySIMQHXHKQYSLCR-MQWKRIRWSA-N
MW215.30 g/mol
LogP-0.29
Rot. Bonds5

About (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide (PubChem CID 103109126) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
PubChem CID103109126
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H21N3O2/c1-5-8(11)9(14)12-7(3)10(15)13(4)6-2/h7-8H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1
InChIKeySIMQHXHKQYSLCR-MQWKRIRWSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide 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

2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide (CID 103109126) is (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide is CC[C@H](N)C(=O)NC(C)C(=O)N(C)CC.
What is the InChIKey of (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is SIMQHXHKQYSLCR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-8(11)9(14)12-7(3)10(15)13(4)6-2/h7-8H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 103109126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).