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

C8H13N3O3 — CID 106373556

IUPAC2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
SMILESCc1cnc(CNCC(N)C(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-5-2-11-7(14-5)4-10-3-6(9)8(12)13/h2,6,10H,3-4,9H2,1H3,(H,12,13)
InChIKeyDFWOKUJAQGPDPW-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.52
Rot. Bonds5

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

2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid (PubChem CID 106373556) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
PubChem CID106373556
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
SMILESCc1cnc(CNCC(N)C(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-5-2-11-7(14-5)4-10-3-6(9)8(12)13/h2,6,10H,3-4,9H2,1H3,(H,12,13)
InChIKeyDFWOKUJAQGPDPW-UHFFFAOYSA-N
XLogP-0.52
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
CID 106372343
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
CID 106371994
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid (CID 106373556) is 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid is Cc1cnc(CNCC(N)C(=O)O)o1.
What is the InChIKey of 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The InChIKey is DFWOKUJAQGPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5-2-11-7(14-5)4-10-3-6(9)8(12)13/h2,6,10H,3-4,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 106373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).