3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid

C11H22N2O4 — CID 114227468

IUPAC3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
SMILESCCOC(CN)CC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-17-8(7-12)5-9(14)13-11(2,3)6-10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyIRKBAMSIBHULMH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.11
Rot. Bonds8

About 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid

3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid (PubChem CID 114227468) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
PubChem CID114227468
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
SMILESCCOC(CN)CC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-17-8(7-12)5-9(14)13-11(2,3)6-10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyIRKBAMSIBHULMH-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
CID 114227516
methyl 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoate
CID 114227387
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
CID 114227443
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid (CID 114227468) is 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid is CCOC(CN)CC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid?
The InChIKey is IRKBAMSIBHULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-17-8(7-12)5-9(14)13-11(2,3)6-10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid?
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 114227468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).