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

C11H22N2O3 — CID 64700346

IUPAC3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
SMILESCCNCC(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-12-7-8(2)10(16)13-11(3,4)6-9(14)15/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyMCCCHLVFUHCPNT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds7

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

3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid (PubChem CID 64700346) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
PubChem CID64700346
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
SMILESCCNCC(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-12-7-8(2)10(16)13-11(3,4)6-9(14)15/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyMCCCHLVFUHCPNT-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
CID 64670496
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798571
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 62851658
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
3-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 64672861
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-(ethylamino)-2-methylpropanamide
CID 43311981

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid (CID 64700346) is 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid is CCNCC(C)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid?
The InChIKey is MCCCHLVFUHCPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-12-7-8(2)10(16)13-11(3,4)6-9(14)15/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid?
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64700346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).