2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid

C12H20N2O3 — CID 115000495

IUPAC2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
SMILESCc1cc(CNC(C)(CC(C)C)C(=O)O)on1
InChIInChI=1S/C12H20N2O3/c1-8(2)6-12(4,11(15)16)13-7-10-5-9(3)14-17-10/h5,8,13H,6-7H2,1-4H3,(H,15,16)
InChIKeyDYOMFEREFLBVJQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.96
Rot. Bonds6

About 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid

2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid (PubChem CID 115000495) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
PubChem CID115000495
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
SMILESCc1cc(CNC(C)(CC(C)C)C(=O)O)on1
InChIInChI=1S/C12H20N2O3/c1-8(2)6-12(4,11(15)16)13-7-10-5-9(3)14-17-10/h5,8,13H,6-7H2,1-4H3,(H,15,16)
InChIKeyDYOMFEREFLBVJQ-UHFFFAOYSA-N
XLogP1.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 43619558
2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 114999018
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
CID 97069579
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442106
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
2-methyl-2-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 113369944
tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid (CID 115000495) is 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid is Cc1cc(CNC(C)(CC(C)C)C(=O)O)on1.
What is the InChIKey of 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The InChIKey is DYOMFEREFLBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)6-12(4,11(15)16)13-7-10-5-9(3)14-17-10/h5,8,13H,6-7H2,1-4H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid is sourced from PubChem (CID 115000495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).