2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid

C11H22N2O4 — CID 103155410

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC(CN)OC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-4-5-9(11(15)16)13-10(14)6-8(7-12)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPOTMUYQSJHSHGQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.11
Rot. Bonds9

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

2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid (PubChem CID 103155410) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
PubChem CID103155410
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC(CN)OC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-4-5-9(11(15)16)13-10(14)6-8(7-12)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPOTMUYQSJHSHGQ-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 103155376
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
4-amino-N-(1-cyclobutylpentyl)-3-methoxybutanamide
CID 120592498
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
6-amino-2-(3-tetradecanoyloxyhexadecanoylamino)hexanoic acid
CID 137374127
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
5-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-3-[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-5-oxopentanoic acid
CID 135210774
(2S)-2-(3,5-dimethylhexanoylamino)hexanoic acid
CID 120614230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid (CID 103155410) is 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid is CCCCC(NC(=O)CC(CN)OC)C(=O)O.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid?
The InChIKey is POTMUYQSJHSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-4-5-9(11(15)16)13-10(14)6-8(7-12)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid?
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid is sourced from PubChem (CID 103155410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).