methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate

C14H20N2O4 — CID 81089380

IUPACmethyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
SMILESCOCCCC(N)C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H20N2O4/c1-19-9-3-4-12(15)13(17)16-11-7-5-10(6-8-11)14(18)20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyGRJANGQHAXQNQK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.17
Rot. Bonds7

About methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate

methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate (PubChem CID 81089380) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
PubChem CID81089380
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
SMILESCOCCCC(N)C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H20N2O4/c1-19-9-3-4-12(15)13(17)16-11-7-5-10(6-8-11)14(18)20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyGRJANGQHAXQNQK-UHFFFAOYSA-N
XLogP1.17
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
methyl 3-[(2-amino-4-methoxybutanoyl)amino]benzoate
CID 62475767
2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 81082977

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate (CID 81089380) is methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate is COCCCC(N)C(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate?
The InChIKey is GRJANGQHAXQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-9-3-4-12(15)13(17)16-11-7-5-10(6-8-11)14(18)20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate?
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate has a molecular weight of 280.32 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate is sourced from PubChem (CID 81089380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).