3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid

C13H19N3O4 — CID 79241978

IUPAC3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1noc(C)c1CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H19N3O4/c1-8-11(9(2)20-15-8)7-14-13(19)16(10-3-4-10)6-5-12(17)18/h10H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyOXLIYGDXNMBIJX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.44
Rot. Bonds6

About 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid

3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 79241978) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID79241978
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1noc(C)c1CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H19N3O4/c1-8-11(9(2)20-15-8)7-14-13(19)16(10-3-4-10)6-5-12(17)18/h10H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyOXLIYGDXNMBIJX-UHFFFAOYSA-N
XLogP1.44
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106374477
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 82329686
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 79242130
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid (CID 79241978) is 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid is Cc1noc(C)c1CNC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is OXLIYGDXNMBIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-11(9(2)20-15-8)7-14-13(19)16(10-3-4-10)6-5-12(17)18/h10H,3-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 79241978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).