2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen

C11H28N2O2 — CID 142108408

IUPAC2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC.CCC(NC(=O)CN)C(C)=O.[H][H]
InChIInChI=1S/C7H14N2O2.2C2H6.H2/c1-3-6(5(2)10)9-7(11)4-8;2*1-2;/h6H,3-4,8H2,1-2H3,(H,9,11);2*1-2H3;1H
InChIKeyKKPVARIZQMBYID-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.73
Rot. Bonds4

About 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen

2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen (PubChem CID 142108408) has the molecular formula C11H28N2O2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen
PubChem CID142108408
Molecular FormulaC11H28N2O2
Molecular Weight220.36 g/mol
Exact Mass220.22
IUPAC Name2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC.CCC(NC(=O)CN)C(C)=O.[H][H]
InChIInChI=1S/C7H14N2O2.2C2H6.H2/c1-3-6(5(2)10)9-7(11)4-8;2*1-2;/h6H,3-4,8H2,1-2H3,(H,9,11);2*1-2H3;1H
InChIKeyKKPVARIZQMBYID-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
CID 89042363
2-amino-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 143447843
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
(3S)-3-[(2-aminoacetyl)amino]-4-(2-methylpropanoylamino)-4-oxobutanoic acid
CID 18640745
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
2-[(2-aminoacetyl)amino]butanedioate
CID 22257641
2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
CID 155415665
2-[(2-aminoacetyl)amino]-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]butanamide
CID 123492581
4-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-4-oxobutanoic acid
CID 121429263
(3S)-3-(iodoamino)pentan-2-one
CID 90142832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen?
The IUPAC name of 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen (CID 142108408) is 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen.
What is the SMILES notation for 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen?
The canonical SMILES for 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen is CC.CC.CCC(NC(=O)CN)C(C)=O.[H][H].
What is the InChIKey of 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen?
The InChIKey is KKPVARIZQMBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2C2H6.H2/c1-3-6(5(2)10)9-7(11)4-8;2*1-2;/h6H,3-4,8H2,1-2H3,(H,9,11);2*1-2H3;1H.
What are the key properties of 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen?
2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen has a molecular weight of 220.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 142108408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).