2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid

C9H17NO4 — CID 65218680

IUPAC2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-7(9(12)13)5-10-8(11)6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRESIZCUZMTUEJO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds7

About 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid

2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid (PubChem CID 65218680) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
PubChem CID65218680
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-7(9(12)13)5-10-8(11)6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRESIZCUZMTUEJO-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 65219294
2-[[3-(4-ethylphenyl)propanoylamino]methyl]pentanoic acid
CID 65219639
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65223456

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid (CID 65218680) is 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)COC)C(=O)O.
What is the InChIKey of 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid?
The InChIKey is RESIZCUZMTUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-7(9(12)13)5-10-8(11)6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid?
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).