2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid

C14H20N2O4 — CID 103017877

IUPAC2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
SMILESCOC(C)(C)CC(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-14(2,20-3)8-12(17)16(9-13(18)19)11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3,(H,18,19)
InChIKeyMLLLRVMYVOLRAC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid

2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid (PubChem CID 103017877) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
PubChem CID103017877
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
SMILESCOC(C)(C)CC(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-14(2,20-3)8-12(17)16(9-13(18)19)11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3,(H,18,19)
InChIKeyMLLLRVMYVOLRAC-UHFFFAOYSA-N
XLogP1.50
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)propanoic acid
CID 103017880
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
CID 63118087
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
2-(2-amino-N-(3-iodobenzoyl)anilino)acetic acid
CID 63118221

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid (CID 103017877) is 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid is COC(C)(C)CC(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The InChIKey is MLLLRVMYVOLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,20-3)8-12(17)16(9-13(18)19)11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid is sourced from PubChem (CID 103017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).