2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

C10H16N2O3 — CID 62821268

IUPAC2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCc1cc(CN(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-7-5-8(11-15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyHQMQUOUDXHWFLJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (PubChem CID 62821268) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
PubChem CID62821268
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCc1cc(CN(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-7-5-8(11-15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyHQMQUOUDXHWFLJ-UHFFFAOYSA-N
XLogP1.28
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 65264344
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
CID 63021521
cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93320943
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
2-methyl-2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoic acid
CID 62820024
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62821769
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (CID 62821268) is 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is Cc1cc(CN(C)C(C)(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is HQMQUOUDXHWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-5-8(11-15-7)6-12(4)10(2,3)9(13)14/h5H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 62821268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).