2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid

C12H22N2O5 — CID 81100894

IUPAC2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
SMILESCOCCCC(N)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-5-2-3-10(13)12(17)14-4-6-19-8-9(14)7-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyPGULEBYUIBLPRM-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.56
Rot. Bonds7

About 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid

2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid (PubChem CID 81100894) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
PubChem CID81100894
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
SMILESCOCCCC(N)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-18-5-2-3-10(13)12(17)14-4-6-19-8-9(14)7-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyPGULEBYUIBLPRM-UHFFFAOYSA-N
XLogP-0.56
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.56
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

2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
2-amino-1-(3,3-dimethylmorpholin-4-yl)-5-methoxypentan-1-one
CID 81088420
2-[4-(2-amino-4-methoxybutanoyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518736
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 81092830
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid (CID 81100894) is 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid is COCCCC(N)C(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid?
The InChIKey is PGULEBYUIBLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-5-2-3-10(13)12(17)14-4-6-19-8-9(14)7-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid?
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 81100894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).