2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide

C12H25N3O3 — CID 81088046

IUPAC2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
SMILESCOCCCC(N)C(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H25N3O3/c1-9(2)7-15(8-11(14)16)12(17)10(13)5-4-6-18-3/h9-10H,4-8,13H2,1-3H3,(H2,14,16)
InChIKeyLMZBGIYVIBUBTC-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.29
Rot. Bonds9

About 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide

2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide (PubChem CID 81088046) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
PubChem CID81088046
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
SMILESCOCCCC(N)C(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H25N3O3/c1-9(2)7-15(8-11(14)16)12(17)10(13)5-4-6-18-3/h9-10H,4-8,13H2,1-3H3,(H2,14,16)
InChIKeyLMZBGIYVIBUBTC-UHFFFAOYSA-N
XLogP-0.29
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.29
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-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
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-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide (CID 81088046) is 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide is COCCCC(N)C(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide?
The InChIKey is LMZBGIYVIBUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(2)7-15(8-11(14)16)12(17)10(13)5-4-6-18-3/h9-10H,4-8,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide?
2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide has a molecular weight of 259.35 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 81088046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).