3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid

C10H20N2O3 — CID 62836702

IUPAC3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCCNC(C)(C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-12-10(3,4)9(15)11-6-7(2)8(13)14/h7,12H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyAOVIFGIPLANYGM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds6

About 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid (PubChem CID 62836702) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
PubChem CID62836702
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
SMILESCCNC(C)(C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-12-10(3,4)9(15)11-6-7(2)8(13)14/h7,12H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyAOVIFGIPLANYGM-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 107152947
2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid (CID 62836702) is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid is CCNC(C)(C)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
The InChIKey is AOVIFGIPLANYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-12-10(3,4)9(15)11-6-7(2)8(13)14/h7,12H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid?
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62836702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).