2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide

C9H19N3O3 — CID 106175610

IUPAC2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-3-9(11,4-2)8(15)12-5-6(13)7(10)14/h6,13H,3-5,11H2,1-2H3,(H2,10,14)(H,12,15)
InChIKeyQFQFMIYPNAMKNX-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.53
Rot. Bonds6

About 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide

2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide (PubChem CID 106175610) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide
PubChem CID106175610
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-3-9(11,4-2)8(15)12-5-6(13)7(10)14/h6,13H,3-5,11H2,1-2H3,(H2,10,14)(H,12,15)
InChIKeyQFQFMIYPNAMKNX-UHFFFAOYSA-N
XLogP-1.53
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 79814450
4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 107836178
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
2-amino-2-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 106147988
2-amino-2-ethyl-N-(2-methylprop-2-enyl)butanamide
CID 114617063
2-hydroxybutanamide;hydrochloride
CID 87384831
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 79814605
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 115427950
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
CID 106174934
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide (CID 106175610) is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)NCC(O)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide?
The InChIKey is QFQFMIYPNAMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-9(11,4-2)8(15)12-5-6(13)7(10)14/h6,13H,3-5,11H2,1-2H3,(H2,10,14)(H,12,15).
What are the key properties of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide?
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide has a molecular weight of 217.27 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide is sourced from PubChem (CID 106175610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).