2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid

C12H24N2O3 — CID 114994322

IUPAC2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
SMILESCCC(C)(NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-12(2,11(15)16)13-5-4-6-14-7-9-17-10-8-14/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyDQLSFNQTESVYRD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds7

About 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid

2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid (PubChem CID 114994322) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
PubChem CID114994322
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
SMILESCCC(C)(NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-12(2,11(15)16)13-5-4-6-14-7-9-17-10-8-14/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyDQLSFNQTESVYRD-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
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-methyl-5-(1,4-oxazepan-4-yl)-2-(propylamino)pentanoic acid
CID 62973505
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
2-(3-fluoropropylamino)-2-methylbutanoic acid
CID 81114600
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
CID 62993597
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid (CID 114994322) is 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid is CCC(C)(NCCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid?
The InChIKey is DQLSFNQTESVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-12(2,11(15)16)13-5-4-6-14-7-9-17-10-8-14/h13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid?
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid is sourced from PubChem (CID 114994322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).