4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid

C13H24N2O4 — CID 107473765

IUPAC4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)8-10(11(16)17)9-14-12(18)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYJFTXMMIIMQXEE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.17
Rot. Bonds4

About 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid

4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid (PubChem CID 107473765) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
PubChem CID107473765
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)8-10(11(16)17)9-14-12(18)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYJFTXMMIIMQXEE-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
2-[[(2,2-dimethylthiomorpholine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474715
N-(2,3-dimethylbutyl)morpholine-4-carboxamide
CID 115642976
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
N-(2-hydroxy-4-methylpentyl)morpholine-4-carboxamide
CID 103632058
N-(2-amino-3-hydroxybutyl)morpholine-4-carboxamide
CID 79152510
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 107474506
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid (CID 107473765) is 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid is CC(C)(C)CC(CNC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid?
The InChIKey is YJFTXMMIIMQXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)8-10(11(16)17)9-14-12(18)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid?
4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 107473765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).