N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide

C9H18N2O4 — CID 106164776

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O4/c1-6(5-15-2)3-8(13)11-4-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyUNHMCQYAIVUZJS-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.38
Rot. Bonds7

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide (PubChem CID 106164776) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
PubChem CID106164776
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O4/c1-6(5-15-2)3-8(13)11-4-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyUNHMCQYAIVUZJS-UHFFFAOYSA-N
XLogP-1.38
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-(2-amino-2-ethylbutyl)-4-methoxy-3-methylbutanamide
CID 81482511
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
2-hydroxy-3-(2-methoxyethylamino)propanamide
CID 106174482
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide (CID 106164776) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide?
The InChIKey is UNHMCQYAIVUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(5-15-2)3-8(13)11-4-7(12)9(10)14/h6-7,12H,3-5H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide has a molecular weight of 218.25 g/mol, XLogP of -1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 106164776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).