2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid

C10H20N2O4 — CID 81088213

IUPAC2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(N)CCCOC
InChIInChI=1S/C10H20N2O4/c1-3-12(7-9(13)14)10(15)8(11)5-4-6-16-2/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyJDTHEDMOOMYTSO-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.33
Rot. Bonds8

About 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid

2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid (PubChem CID 81088213) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
PubChem CID81088213
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C(N)CCCOC
InChIInChI=1S/C10H20N2O4/c1-3-12(7-9(13)14)10(15)8(11)5-4-6-16-2/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyJDTHEDMOOMYTSO-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
CID 81088046
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071463
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid (CID 81088213) is 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)C(N)CCCOC.
What is the InChIKey of 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid?
The InChIKey is JDTHEDMOOMYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-12(7-9(13)14)10(15)8(11)5-4-6-16-2/h8H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid?
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid is sourced from PubChem (CID 81088213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).