4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 122022926

IUPAC4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC(C)C1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C12H22N2O4/c1-9(2)10-8-14(6-7-18-10)12(17)13-5-3-4-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIQAHWXOMEVDRJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds5

About 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid

4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 122022926) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID122022926
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC(C)C1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C12H22N2O4/c1-9(2)10-8-14(6-7-18-10)12(17)13-5-3-4-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIQAHWXOMEVDRJT-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
CID 102543735
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
CID 75448476
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
CID 43473794
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid (CID 122022926) is 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid is CC(C)C1CN(C(=O)NCCCC(=O)O)CCO1.
What is the InChIKey of 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is IQAHWXOMEVDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)10-8-14(6-7-18-10)12(17)13-5-3-4-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid?
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122022926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).