2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid

C11H22N2O4 — CID 65224019

IUPAC2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCOCCC(N)C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-7(2)8(11(15)16)6-13-10(14)9(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGMTDQNLSCFUUQL-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.18
Rot. Bonds8

About 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid

2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65224019) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65224019
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCOCCC(N)C(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-7(2)8(11(15)16)6-13-10(14)9(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGMTDQNLSCFUUQL-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
CID 81073119
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid (CID 65224019) is 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid is COCCC(N)C(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is GMTDQNLSCFUUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)8(11(15)16)6-13-10(14)9(12)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid?
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.18, 8 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]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65224019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).