2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid

C12H24N2O4 — CID 65267314

IUPAC2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C(C)(C)C(C)(C)N)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-11(2,12(3,4)13)10(17)14-8(9(15)16)6-7-18-5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyFAGHZXPOXVECFV-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.36
Rot. Bonds7

About 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid

2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid (PubChem CID 65267314) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid
PubChem CID65267314
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C(C)(C)C(C)(C)N)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-11(2,12(3,4)13)10(17)14-8(9(15)16)6-7-18-5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyFAGHZXPOXVECFV-UHFFFAOYSA-N
XLogP0.36
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 80750707
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479125
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 115356685

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid (CID 65267314) is 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)C(C)(C)C(C)(C)N)C(=O)O.
What is the InChIKey of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid?
The InChIKey is FAGHZXPOXVECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-11(2,12(3,4)13)10(17)14-8(9(15)16)6-7-18-5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid?
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 65267314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).