2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid

C10H20N2O4 — CID 79798220

IUPAC2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(N)CCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-10(2,9(14)15)12-8(13)7(11)5-6-16-3/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZMUWQNSHXOYDIQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds7

About 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid

2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid (PubChem CID 79798220) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
PubChem CID79798220
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(N)CCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-10(2,9(14)15)12-8(13)7(11)5-6-16-3/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZMUWQNSHXOYDIQ-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
CID 62474644
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
2-amino-3-methoxy-N-(3-methylpentan-3-yl)propanamide
CID 106328510
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
(2R)-4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 107824480
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 55080631
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid (CID 79798220) is 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C(N)CCOC)C(=O)O.
What is the InChIKey of 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid?
The InChIKey is ZMUWQNSHXOYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-10(2,9(14)15)12-8(13)7(11)5-6-16-3/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid?
2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79798220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).