2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid

C14H26N2O5 — CID 66433883

IUPAC2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
SMILESCC(C)OCCCNC(=O)CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-11(2)20-6-3-4-15-13(17)10-16-5-7-21-12(9-16)8-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNIDJCUJQHVNDDT-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.09
Rot. Bonds9

About 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid

2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66433883) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
PubChem CID66433883
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
SMILESCC(C)OCCCNC(=O)CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H26N2O5/c1-11(2)20-6-3-4-15-13(17)10-16-5-7-21-12(9-16)8-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNIDJCUJQHVNDDT-UHFFFAOYSA-N
XLogP0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.09
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-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
CID 79840477
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55739272
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443179
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 81219632
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 115305282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid (CID 66433883) is 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid is CC(C)OCCCNC(=O)CN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is NIDJCUJQHVNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-11(2)20-6-3-4-15-13(17)10-16-5-7-21-12(9-16)8-14(18)19/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid?
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).