ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid

C10H21NO3 — CID 142311120

IUPACethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
SMILESCC.CC(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H15NO3.C2H6/c1-5(2)6(10)9-8(3,4)7(11)12;1-2/h5H,1-4H3,(H,9,10)(H,11,12);1-2H3
InChIKeyCAHBDAXFXFFPDL-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.65
Rot. Bonds3

About ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid

ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid (PubChem CID 142311120) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid.

Molecular Properties

Compound Nameethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
PubChem CID142311120
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
SMILESCC.CC(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H15NO3.C2H6/c1-5(2)6(10)9-8(3,4)7(11)12;1-2/h5H,1-4H3,(H,9,10)(H,11,12);1-2H3
InChIKeyCAHBDAXFXFFPDL-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
2-(2-bromopropanoylamino)-2-methylpropanoic acid
CID 22253670
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 23422407
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
CID 61465806
2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 11312683
2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 61262074
2-[(3-ethyl-4-methylpentanoyl)amino]-2-methylpropanoic acid
CID 119187457
N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
CID 167316537
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid?
The IUPAC name of ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid (CID 142311120) is ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid.
What is the SMILES notation for ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid?
The canonical SMILES for ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid is CC.CC(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid?
The InChIKey is CAHBDAXFXFFPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C2H6/c1-5(2)6(10)9-8(3,4)7(11)12;1-2/h5H,1-4H3,(H,9,10)(H,11,12);1-2H3.
What are the key properties of ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid?
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid is sourced from PubChem (CID 142311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).