2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid

C14H26N2O5 — CID 106004541

IUPAC2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
SMILESCC(C)OCCCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H26N2O5/c1-11(2)21-7-4-3-5-15-14(19)16-6-8-20-10-12(16)9-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNSBJGLDIILVYQC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds8

About 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid

2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid (PubChem CID 106004541) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
PubChem CID106004541
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
SMILESCC(C)OCCCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H26N2O5/c1-11(2)21-7-4-3-5-15-14(19)16-6-8-20-10-12(16)9-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNSBJGLDIILVYQC-UHFFFAOYSA-N
XLogP1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.08
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-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
CID 114469359
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
3-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106004384
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
CID 75443356
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
CID 114120332
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-3-yl]acetic acid
CID 107297364
2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 106303808
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid (CID 106004541) is 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid is CC(C)OCCCCNC(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid?
The InChIKey is NSBJGLDIILVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-11(2)21-7-4-3-5-15-14(19)16-6-8-20-10-12(16)9-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid?
2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid has a molecular weight of 302.37 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 106004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).